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Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate

Authors:

Rekis, Toms; Schaller, Achim M.; Kotla, Surya Rohith; Schonleber, Andreas; Noohinejad, Leila; Tolkiehn, Martin; Paulmann, Carsten; van Smaalen, Sander

Journal:

IUCrJ 8 139-147 (2021)

DOI:

https://doi.org/10.1107/S2052252520015912

B-IncStrDB ID: 8jLEBcgmxbu Entry date: 2022-01-29 Last revision: 2026-02-17

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298K_2nd

Chemical data

Common Name: Sodium Saccharinate 1.875-Hydrate [ Help ]

Structural Formula Sum: C7 H4 N1 Na1 O4.875 S1 [ Help ]

Formula weight: 235.2 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: C2/c(0β0)s0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

Operation code Operation in algebraic form
1 x1,x2,x3,x4
2 -x1,x2+1/2,-x3+1/2,x4+1/2
3 -x1,-x2,-x3,-x4
4 x1,-x2+1/2,x3+1/2,-x4+1/2
5 x1+1/2,x2+1/2,x3,x4
6 -x1+1/2,x2,-x3+1/2,x4+1/2
7 -x1+1/2,-x2+1/2,-x3,-x4
8 x1+1/2,-x2,x3+1/2,-x4+1/2

a: 18.7488 Å [ Help ]

b: 7.1526 Å [ Help ]

c: 29.1812 Å [ Help ]

α: 90 ° [ Help ]

β: 93.7725 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 3904.797 Å3 [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.000000 0.750000 0.000000

Z: 16 [ Help ]

Cell measurement temperature: 298 K [ Help ]

μ: 0.143 mm-1 [ Help ]

Absorption correction type: empirical [ Help ]

Absorption correction remarks: SADABS, Program for Empirical Absorption Correction of Area Detector Data, G. M. Sheldrick, 1996 [ Help ]

Refinement details

Total nb. of reflections: 53543 [ Help ]

Nb. of observed reflections: 23243 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(obs): 0.0548 [ Help ]

wR(obs): 0.0489 [ Help ]

R(all): 0.1659 [ Help ]

wR(all): 0.0567 [ Help ]

S(all): 1.74 [ Help ]

S(obs): 2.32 [ Help ]

Nb. of reflections: 53543 [ Help ]

Nb. of parameters: 1702 [ Help ]

Number of restraints: 0 [ Help ]

Number of constraints: 710 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ2(F)+0.0001F2) [ Help ]

Refinement of hydrogen atoms: constr [ Help ]

Δ/σ(max): 0.0181 [ Help ]

Δ/σ(mean): 0.0001 [ Help ]

Δρ(max): 1.10 e_Å-3 [ Help ]

Δρ(min): -1.03 e_Å-3 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom site label Atom symbol x y z ADP type Uiso/equiv Symmetry multiplicity Occupancy Coords from (d)iffraction or (c)alculated Coords restraints or constraints Disordered cluster Disordered group
S1a S -0.050506(10) 0.77550(3) 0.412263(7) Uani 0.03462(7) 8 1 d . . .
O1a O -0.09110(3) 0.94035(10) 0.42096(2) Uani 0.0518(2) 8 1 d . . .
O2a O -0.07980(3) 0.60627(10) 0.42972(2) Uani 0.0514(2) 8 1 d . . .
O3a O 0.05807(3) 0.75931(10) 0.31398(2) Uani 0.0456(2) 8 1 d . . .
N1a N -0.03630(3) 0.75781(11) 0.35905(2) Uani 0.0380(2) 8 1 d . . .
C7a C 0.03398(4) 0.76937(12) 0.35201(3) Uani 0.0333(3) 8 1 d . . .
S1b S -0.218788(14) 0.78469(4) 0.174216(11) Uani 0.03454(8) 8 0.875 d . . .
S1b' S -0.20246(11) 0.7016(3) 0.17559(7) Uani 0.03454(8) 8 0.06673(18) d . . .
S1b'' S -0.17847(10) 0.6860(3) 0.17690(8) Uani 0.03454(8) 8 0.05827(18) d . . .
O1b O -0.26084(4) 0.62370(13) 0.17704(3) Uani 0.0543(3) 8 0.875 d . . .
O1b' O -0.2215(4) 0.5105(15) 0.1795(4) Uani 0.0543(3) 8 0.06673(18) d . . .
O1b'' O -0.2012(2) 0.8224(6) 0.21077(17) Uani 0.0543(3) 8 0.05827(18) d . . .
O2b O -0.25235(4) 0.95168(13) 0.18673(3) Uani 0.0526(3) 8 0.875 d . . .
O2b' O -0.2475(2) 0.8294(5) 0.19740(15) Uani 0.0526(3) 8 0.06673(18) d . . .
O2b'' O -0.2144(4) 0.5042(17) 0.1798(4) Uani 0.0526(3) 8 0.05827(18) d . . .
O3b O -0.02884(4) 0.75156(13) 0.18840(3) Uani 0.0500(3) 8 0.875 d . . .
O3b' O -0.01355(18) 0.7979(7) 0.16126(17) Uani 0.0500(3) 8 0.06673(18) d . . .
O3b'' O -0.0018(2) 0.6985(8) 0.1336(2) Uani 0.0500(3) 8 0.05827(18) d . . .
N1b N -0.14481(5) 0.75840(15) 0.20277(4) Uani 0.0397(3) 8 0.875 d . . .
N1b' N -0.1199(3) 0.7267(8) 0.19205(18) Uani 0.0397(3) 8 0.06673(18) d . . .
N1b'' N -0.0934(3) 0.6660(9) 0.1812(2) Uani 0.0397(3) 8 0.05827(18) d . . .
C7b C -0.09135(6) 0.76611(17) 0.17511(4) Uani 0.0344(3) 8 0.875 d . . .
C7b' C -0.0796(3) 0.7712(9) 0.1580(2) Uani 0.0344(3) 8 0.06673(18) d . . .
C7b'' C -0.0658(3) 0.7109(10) 0.1410(3) Uani 0.0344(3) 8 0.05827(18) d . . .
O28w O 0.09656(6) 0.52560(18) 0.22132(5) Uani 0.0666(4) 8 0.9844 d . . .
O28w' O 0.09656(6) 0.52560(18) 0.22132(5) Uani 0.081(2) 8 0.0766(13) d . . .
O28w'' O 0.0917(6) 0.5486(15) 0.2115(4) Uani 0.081(2) 8 0.0641(13) d . . .
O18w O -0.09403(7) 0.5035(2) 0.27991(6) Uani 0.0631(14) 8 0.8438 d . . .
O18w' O -0.09403(7) 0.5035(2) 0.27991(6) Uani 0.0709(14) 8 0.0759(8) d . . .
O18w'' O -0.0483(3) 0.4694(10) 0.2822(2) Uani 0.0709(14) 8 0.0647(8) d . . .
O19w' O -0.09403(7) 0.5035(2) 0.27991(6) Uani 0.069(2) 8 0.0593(12) d . . .
O19w'' O -0.0941(4) 0.4802(10) 0.2812(3) Uani 0.069(2) 8 0.0813(12) d . . .
O24w O 0.14876(5) 0.78169(16) 0.12109(4) Uani 0.0804(4) 8 0.9844 d . . .
O24w' O 0.14876(5) 0.78169(16) 0.12109(4) Uani 0.0843(13) 8 0.0571(5) d . . .
O24w'' O 0.14579(19) 0.8457(6) 0.12067(15) Uani 0.0843(13) 8 0.0835(5) d . . .
O23w O 0.23903(8) 0.8178(2) 0.27705(6) Uani 0.0498(6) 8 0.8438 d . . .
Na6 Na 0.19801(5) 0.81772(14) 0.19782(4) Uani 0.0429(4) 8 0.75 d . . .
Na2 Na 0.00512(12) 0.6821(4) 0.25177(9) Uani 0.0616(9) 8 0.625 d . . .
Na2' Na -0.10489(11) 0.7700(3) 0.28289(7) Uani 0.0511(8) 8 0.0638(3) d . . .
Na2'' Na -0.03791(13) 0.7789(4) 0.25506(9) Uani 0.0690(11) 8 0.0612(3) d . . .
Na16' Na 0.1363(4) 0.703(5) 0.2648(4) Uani 0.061(4) 8 0.045(4) d . . .
Na16'' Na 0.14067(18) 0.810(3) 0.26929(13) Uani 0.066(3) 8 0.080(4) d . . .
Na16 Na 0.14999(5) 0.77410(15) 0.27691(3) Uani 0.0441(4) 8 0.125 d . . .
Na14' Na 0.09421(11) 0.9779(3) 0.14957(8) Uani 0.0405(8) 8 0.0530(3) d . . .
Na14'' Na 0.10949(8) 0.5621(3) 0.14944(6) Uani 0.0461(7) 8 0.0720(3) d . . .
Na14 Na 0.08990(4) 0.55839(14) 0.15811(3) Uani 0.0391(3) 8 0.125 d . . .
C1a C 0.03916(3) 0.80417(10) 0.43286(2) Uani 0.0306(8) 8 1 d . . .
C2a C 0.07964(5) 0.79851(16) 0.39559(4) Uani 0.0301(8) 8 1 d . . .
C3a C 0.15256(6) 0.81940(18) 0.40119(4) Uani 0.0390(9) 8 1 d . . .
C4a C 0.18268(6) 0.84604(19) 0.44521(4) Uani 0.0470(8) 8 1 d . . .
C5a C 0.14134(6) 0.85227(19) 0.48221(4) Uani 0.0482(8) 8 1 d . . .
C6a C 0.06809(5) 0.83086(17) 0.47693(4) Uani 0.0407(9) 8 1 d . . .
H1c3a H 0.181657 0.815595 0.375343 Uani 0.0478(18) 8 1 d . . .
H1c4a H 0.233539 0.860463 0.44996 Uani 0.0604(16) 8 1 d . . .
H1c5a H 0.163753 0.871885 0.512362 Uani 0.0628(16) 8 1 d . . .
H1c6a H 0.038824 0.834426 0.502704 Uani 0.0505(19) 8 1 d . . .
C1b C -0.18671(6) 0.8083(5) 0.12009(3) Uani 0.0306(13) 8 0.875 d . . .
C2b C -0.11396(7) 0.7949(5) 0.12617(4) Uani 0.0305(13) 8 0.875 d . . .
C3b C -0.07255(7) 0.8122(9) 0.08926(5) Uani 0.0421(14) 8 0.875 d . . .
C4b C -0.10682(8) 0.8429(5) 0.04655(4) Uani 0.0516(13) 8 0.875 d . . .
C5b C -0.17984(8) 0.8551(5) 0.04096(4) Uani 0.0536(13) 8 0.875 d . . .
C6b C -0.22186(6) 0.8385(9) 0.07785(5) Uani 0.0445(15) 8 0.875 d . . .
H1c3b H -0.021409 0.803194 0.093027 Uani 0.062(3) 8 0.875 d . . .
H1c4b H -0.078966 0.855887 0.02028 Uani 0.076(3) 8 0.875 d . . .
H1c5b H -0.202172 0.87561 0.010825 Uani 0.080(3) 8 0.875 d . . .
H1c6b H -0.273002 0.847547 0.07423 Uani 0.066(3) 8 0.875 d . . .
C1c C -0.1924(2) 0.7660(12) 0.11705(10) Uani 0.0306(13) 8 0.06673(18) d . . .
C2c C -0.1211(2) 0.7963(11) 0.11333(11) Uani 0.0305(13) 8 0.06673(18) d . . .
C3c C -0.09645(19) 0.852(2) 0.07217(14) Uani 0.0421(13) 8 0.06673(18) d . . .
C4c C -0.1459(2) 0.8759(11) 0.03538(11) Uani 0.0516(12) 8 0.06673(18) d . . .
C5c C -0.2173(2) 0.8441(12) 0.03959(11) Uani 0.0536(12) 8 0.06673(18) d . . .
C6c C -0.24249(19) 0.788(2) 0.08083(14) Uani 0.0445(14) 8 0.06673(18) d . . .
H1c3c H -0.046482 0.874135 0.069073 Uani 0.062(3) 8 0.06673(18) d . . .
H1c4c H -0.129943 0.915375 0.006323 Uani 0.076(2) 8 0.06673(18) d . . .
H1c5c H -0.250309 0.860839 0.013361 Uani 0.080(2) 8 0.06673(18) d . . .
H1c6c H -0.292423 0.766534 0.084072 Uani 0.066(3) 8 0.06673(18) d . . .
C1d C -0.1877(2) 0.7716(10) 0.12167(13) Uani 0.0306(13) 8 0.05827(18) d . . .
C2d C -0.1215(2) 0.7810(10) 0.10473(13) Uani 0.0305(13) 8 0.05827(18) d . . .
C3d C -0.11431(18) 0.8399(16) 0.06044(16) Uani 0.0421(13) 8 0.05827(18) d . . .
C4d C -0.1756(2) 0.8880(10) 0.03421(13) Uani 0.0516(12) 8 0.05827(18) d . . .
C5d C -0.2416(2) 0.8769(10) 0.05160(13) Uani 0.0536(12) 8 0.05827(18) d . . .
C6d C -0.24932(18) 0.8185(16) 0.09610(16) Uani 0.0445(14) 8 0.05827(18) d . . .
H1c3d H -0.068173 0.847295 0.048108 Uani 0.062(3) 8 0.05827(18) d . . .
H1c4d H -0.171883 0.929943 0.003211 Uani 0.076(2) 8 0.05827(18) d . . .
H1c5d H -0.283304 0.91044 0.032488 Uani 0.080(2) 8 0.05827(18) d . . .
H1c6d H -0.295362 0.811079 0.108564 Uani 0.066(3) 8 0.05827(18) d . . .

ADP components: [ Help ]

Atom site label Atom site symbol U11 U22 U33 U12 U13 U23
S1a S 0.03209(9) 0.04341(14) 0.02864(11) -0.00138(9) 0.00402(8) -0.00390(10)
O1a O 0.0444(3) 0.0616(5) 0.0494(4) 0.0175(3) 0.0038(3) -0.0090(4)
O2a O 0.0552(4) 0.0568(5) 0.0432(4) -0.0198(3) 0.0114(3) -0.0012(3)
O3a O 0.0453(3) 0.0645(5) 0.0278(3) -0.0028(3) 0.0082(3) -0.0016(3)
N1a N 0.0340(3) 0.0537(5) 0.0263(4) -0.0030(3) 0.0023(3) -0.0039(3)
C7a C 0.0383(4) 0.0334(5) 0.0282(4) 0.0000(4) 0.0024(3) 0.0002(4)
S1b S 0.03476(13) 0.03189(13) 0.03795(14) 0.00198(12) 0.00978(12) 0.00185(11)
S1b' S 0.03476(13) 0.03189(13) 0.03795(14) 0.00198(12) 0.00978(12) 0.00185(11)
S1b'' S 0.03476(13) 0.03189(13) 0.03795(14) 0.00198(12) 0.00978(12) 0.00185(11)
O1b O 0.0524(5) 0.0446(6) 0.0678(6) -0.0104(4) 0.0191(4) 0.0103(5)
O1b' O 0.0524(5) 0.0446(6) 0.0678(6) -0.0104(4) 0.0191(4) 0.0103(5)
O1b'' O 0.0524(5) 0.0446(6) 0.0678(6) -0.0104(4) 0.0191(4) 0.0103(5)
O2b O 0.0560(5) 0.0437(5) 0.0601(6) 0.0134(4) 0.0196(4) -0.0060(4)
O2b' O 0.0560(5) 0.0437(5) 0.0601(6) 0.0134(4) 0.0196(4) -0.0060(4)
O2b'' O 0.0560(5) 0.0437(5) 0.0601(6) 0.0134(4) 0.0196(4) -0.0060(4)
O3b O 0.0340(3) 0.0569(6) 0.0576(6) 0.0039(3) -0.0094(3) 0.0023(4)
O3b' O 0.0340(3) 0.0569(6) 0.0576(6) 0.0039(3) -0.0094(3) 0.0023(4)
O3b'' O 0.0340(3) 0.0569(6) 0.0576(6) 0.0039(3) -0.0094(3) 0.0023(4)
N1b N 0.0418(5) 0.0459(6) 0.0309(5) 0.0017(4) -0.0006(4) 0.0052(4)
N1b' N 0.0418(5) 0.0459(6) 0.0309(5) 0.0017(4) -0.0006(4) 0.0052(4)
N1b'' N 0.0418(5) 0.0459(6) 0.0309(5) 0.0017(4) -0.0006(4) 0.0052(4)
C7b C 0.0344(5) 0.0296(6) 0.0384(7) 0.0005(4) -0.0040(4) -0.0012(5)
C7b' C 0.0344(5) 0.0296(6) 0.0384(7) 0.0005(4) -0.0040(4) -0.0012(5)
C7b'' C 0.0344(5) 0.0296(6) 0.0384(7) 0.0005(4) -0.0040(4) -0.0012(5)
O28w O 0.0661(6) 0.0605(7) 0.0741(7) 0.0032(5) 0.0099(5) 0.0013(6)
O28w' O 0.079(3) 0.061(3) 0.099(6) 0.004(2) -0.029(4) -0.012(3)
O28w'' O 0.079(3) 0.061(3) 0.099(6) 0.004(2) -0.029(4) -0.012(3)
O18w O 0.073(2) 0.055(3) 0.063(3) -0.0119(18) 0.0128(18) -0.008(2)
O18w' O 0.055(3) 0.0767(19) 0.081(3) 0.009(3) 0.005(3) -0.0082(18)
O18w'' O 0.055(3) 0.0767(19) 0.081(3) 0.009(3) 0.005(3) -0.0082(18)
O19w' O 0.069(4) 0.063(2) 0.071(4) -0.003(3) -0.017(3) -0.001(2)
O19w'' O 0.069(4) 0.063(2) 0.071(4) -0.003(3) -0.017(3) -0.001(2)
O24w O 0.0956(7) 0.0671(8) 0.0756(8) 0.0027(6) -0.0158(6) 0.0035(6)
O24w' O 0.0763(16) 0.074(3) 0.100(2) 0.000(2) -0.0160(16) 0.012(3)
O24w'' O 0.0763(16) 0.074(3) 0.100(2) 0.000(2) -0.0160(16) 0.012(3)
O23w O 0.0509(9) 0.0506(12) 0.0485(12) -0.0001(8) 0.0078(8) -0.0024(10)
Na6 Na 0.0394(5) 0.0466(7) 0.0427(7) 0.0062(4) 0.0026(4) -0.0027(5)
Na2 Na 0.0417(12) 0.0765(18) 0.0657(17) -0.0018(11) -0.0025(11) 0.0244(13)
Na2' Na 0.0693(15) 0.0433(14) 0.0382(13) -0.0023(10) -0.0154(10) -0.0028(10)
Na2'' Na 0.0653(16) 0.082(2) 0.0567(18) -0.0265(13) -0.0207(13) 0.0016(14)
Na16' Na 0.036(2) 0.107(13) 0.041(3) 0.007(3) 0.004(2) 0.020(4)
Na16'' Na 0.0410(11) 0.110(7) 0.0473(14) -0.0059(19) 0.0163(10) -0.005(2)
Na16 Na 0.0365(5) 0.0593(7) 0.0369(6) -0.0053(4) 0.0063(4) 0.0032(5)
Na14' Na 0.0358(12) 0.0466(17) 0.0385(15) -0.0042(10) -0.0034(10) 0.0076(12)
Na14'' Na 0.0344(9) 0.0588(14) 0.0446(12) 0.0032(8) -0.0028(8) 0.0019(10)
Na14 Na 0.0346(5) 0.0452(6) 0.0369(6) 0.0067(4) -0.0019(4) -0.0013(5)
C1a C 0.0347(3) 0.027(2) 0.0296(4) 0.0009(6) 0.0011(3) -0.0018(6)
C2a C 0.0347(3) 0.026(2) 0.0296(4) 0.0005(6) 0.0011(3) -0.0003(6)
C3a C 0.0343(4) 0.039(3) 0.0444(3) 0.0002(6) 0.0041(3) -0.0002(6)
C4a C 0.0359(3) 0.049(2) 0.0551(4) -0.0002(5) -0.0083(2) -0.0054(6)
C5a C 0.0499(3) 0.052(2) 0.0406(4) 0.0030(6) -0.0131(2) -0.0096(6)
C6a C 0.0487(4) 0.043(3) 0.0297(3) 0.0038(6) -0.0007(3) -0.0060(6)
H1c3a H 0.0408(7) 0.048(5) 0.0558(5) 0.0014(13) 0.0143(5) 0.0032(12)
H1c4a H 0.0366(6) 0.062(5) 0.0807(7) -0.0011(11) -0.0129(4) -0.0063(12)
H1c5a H 0.0685(6) 0.069(5) 0.0474(7) 0.0058(11) -0.0240(4) -0.0150(12)
H1c6a H 0.0650(7) 0.056(6) 0.0310(5) 0.0075(13) 0.0061(6) -0.0065(12)
C1b C 0.0326(5) 0.024(4) 0.0354(4) -0.0008(6) 0.0019(3) 0.0003(7)
C2b C 0.0327(6) 0.025(4) 0.0341(4) -0.0003(6) 0.0016(3) -0.0006(7)
C3b C 0.0417(3) 0.038(4) 0.0477(6) -0.0012(5) 0.0144(3) -0.0030(8)
C4b C 0.0745(5) 0.045(4) 0.0372(4) -0.0014(6) 0.0186(3) -0.0008(6)
C5b C 0.0777(5) 0.049(4) 0.0326(4) 0.0029(6) -0.0061(3) 0.0018(7)
C6b C 0.0449(3) 0.042(4) 0.0447(7) 0.0026(5) -0.0105(3) 0.0006(8)
H1c3b H 0.0409(3) 0.070(9) 0.0770(14) -0.0003(8) 0.0215(4) -0.0042(17)
H1c4b H 0.1092(10) 0.075(7) 0.0482(6) -0.0026(13) 0.0387(6) 0.0007(12)
H1c5b H 0.1166(10) 0.085(8) 0.0367(6) 0.0073(14) -0.0180(7) 0.0059(12)
H1c6b H 0.0460(3) 0.076(9) 0.0719(14) 0.0061(8) -0.0205(4) 0.0018(18)
C1c C 0.0325(6) 0.024(4) 0.0354(5) 0.0011(8) 0.0026(4) -0.0009(9)
C2c C 0.0323(6) 0.025(4) 0.0340(5) 0.0012(8) 0.0023(4) -0.0017(9)
C3c C 0.0475(4) 0.038(4) 0.0422(7) -0.0015(7) 0.0148(3) -0.0005(10)
C4c C 0.0777(5) 0.045(4) 0.0323(4) 0.0049(8) 0.0095(4) 0.0027(9)
C5c C 0.0682(5) 0.052(4) 0.0382(5) 0.0099(8) -0.0138(4) -0.0011(9)
C6c C 0.0380(4) 0.044(4) 0.0500(7) 0.0033(8) -0.0086(3) -0.0036(11)
H1c3c H 0.0524(4) 0.068(8) 0.0680(15) -0.0084(14) 0.0272(5) 0.001(2)
H1c4c H 0.1189(11) 0.074(7) 0.0374(7) 0.0050(16) 0.0218(7) 0.0104(17)
H1c5c H 0.0971(11) 0.090(7) 0.0497(7) 0.0164(16) -0.0316(7) 0.0011(17)
H1c6c H 0.0363(4) 0.078(9) 0.0810(15) -0.0002(14) -0.0121(5) -0.004(2)
C1d C 0.0330(5) 0.024(4) 0.0349(6) -0.0005(6) 0.0031(4) -0.0018(11)
C2d C 0.0326(5) 0.025(4) 0.0337(5) -0.0003(6) 0.0025(4) -0.0024(11)
C3d C 0.0527(4) 0.039(4) 0.0358(7) -0.0038(5) 0.0111(4) -0.0012(12)
C4d C 0.0771(5) 0.044(4) 0.0322(5) 0.0014(6) -0.0039(3) 0.0025(11)
C5d C 0.0579(5) 0.050(4) 0.0499(6) 0.0088(6) -0.0192(4) -0.0009(11)
C6d C 0.0337(4) 0.043(4) 0.0554(7) 0.0036(6) -0.0037(4) -0.0039(13)
H1c3d H 0.0647(5) 0.070(8) 0.0538(14) -0.0077(10) 0.0276(7) 0.001(3)
H1c4d H 0.1208(10) 0.073(7) 0.0341(9) 0.0018(13) -0.0025(7) 0.011(2)
H1c5d H 0.0767(10) 0.085(7) 0.0737(10) 0.0186(13) -0.0381(7) 0.002(2)
H1c6d H 0.0326(5) 0.077(9) 0.0868(15) 0.0047(10) 0.0028(7) -0.004(3)

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): [ Help ]

Wave vector code q_1
1 1
2 2
3 3
4 4

Occupation crenel coefficients: [ Help ]

Atom site label Center (x0) Width
S1b 0.71352(3) 0.875
S1b' 1.1512(2) 0.125
S1b'' 1.1395(2) 0.125
O1b 0.59277(10) 0.875
O1b' 1.0079(12) 0.125
O1b'' 1.2418(5) 0.125
O2b 0.83876(10) 0.875
O2b' 1.2470(4) 0.125
O2b'' 1.0031(13) 0.125
O3b 0.68867(10) 0.875
O3b' 1.2234(5) 0.125
O3b'' 1.1489(6) 0.125
N1b 0.69380(11) 0.875
N1b' 1.1700(6) 0.125
N1b'' 1.1245(7) 0.125
C7b 0.69958(12) 0.875
C7b' 1.2034(7) 0.125
C7b'' 1.1582(8) 0.125
O28w 0.39420(13) 0.875
O28w' 0.89420(13) 0.125
O28w'' 0.9114(11) 0.125
O18w 0.44013(17) 0.75
O18w' 0.87763(17) 0.125
O18w'' 0.8521(8) 0.125
O19w' 1.00263(17) 0.125
O19w'' 0.9851(7) 0.125
O24w 0.71127(12) 0.875
O24w' 0.21126(12) 0.125
O24w'' 0.2593(5) 0.125
O23w 0.80086(19) 0.75
Na6 0.80079(11) 0.75
Na2 0.6366(3) 0.625
Na2' 0.2025(2) 0.125
Na2'' 0.2092(3) 0.125
Na16' 0.152(4) 0.125
Na16'' 0.233(2) 0.125
Na16 0.33057(11) 0.125
Na14' 0.3584(3) 0.125
Na14'' 0.0466(2) 0.125
Na14 0.16879(11) 0.125
C1b 0.7312 0.875
C2b 0.7212 0.875
C3b 0.7341 0.875
C4b 0.7572 0.875
C5b 0.7663 0.875
C6b 0.7539 0.875
H1c3b 0.7274 0.875
H1c4b 0.7669 0.875
H1c5b 0.7817 0.875
H1c6b 0.7607 0.875
C1c 1.1995 0.125
C2c 1.2222 0.125
C3c 1.2642 0.125
C4c 1.2819 0.125
C5c 1.2581 0.125
C6c 1.2163 0.125
H1c3c 1.2806 0.125
H1c4c 1.3115 0.125
H1c5c 1.2706 0.125
H1c6c 1.1999 0.125
C1d 1.2037 0.125
C2d 1.2108 0.125
C3d 1.2549 0.125
C4d 1.291 0.125
C5d 1.2827 0.125
C6d 1.2389 0.125
H1c3d 1.2605 0.125
H1c4d 1.3225 0.125
H1c5d 1.3078 0.125
H1c6d 1.2333 0.125

Definition of the displacive (translational) Fourier series: [ Help ]

Modulation code Atom site label Displacement axis Wave vector code
S1ax1 S1a x 1
S1ay1 S1a y 1
S1az1 S1a z 1
S1ax2 S1a x 2
S1ay2 S1a y 2
S1az2 S1a z 2
S1ax3 S1a x 3
S1ay3 S1a y 3
S1az3 S1a z 3
S1ax4 S1a x 4
S1ay4 S1a y 4
S1az4 S1a z 4
O1ax1 O1a x 1
O1ay1 O1a y 1
O1az1 O1a z 1
O1ax2 O1a x 2
O1ay2 O1a y 2
O1az2 O1a z 2
O1ax3 O1a x 3
O1ay3 O1a y 3
O1az3 O1a z 3
O1ax4 O1a x 4
O1ay4 O1a y 4
O1az4 O1a z 4
O2ax1 O2a x 1
O2ay1 O2a y 1
O2az1 O2a z 1
O2ax2 O2a x 2
O2ay2 O2a y 2
O2az2 O2a z 2
O2ax3 O2a x 3
O2ay3 O2a y 3
O2az3 O2a z 3
O2ax4 O2a x 4
O2ay4 O2a y 4
O2az4 O2a z 4
O3ax1 O3a x 1
O3ay1 O3a y 1
O3az1 O3a z 1
O3ax2 O3a x 2
O3ay2 O3a y 2
O3az2 O3a z 2
O3ax3 O3a x 3
O3ay3 O3a y 3
O3az3 O3a z 3
O3ax4 O3a x 4
O3ay4 O3a y 4
O3az4 O3a z 4
N1ax1 N1a x 1
N1ay1 N1a y 1
N1az1 N1a z 1
N1ax2 N1a x 2
N1ay2 N1a y 2
N1az2 N1a z 2
N1ax3 N1a x 3
N1ay3 N1a y 3
N1az3 N1a z 3
N1ax4 N1a x 4
N1ay4 N1a y 4
N1az4 N1a z 4
C7ax1 C7a x 1
C7ay1 C7a y 1
C7az1 C7a z 1
C7ax2 C7a x 2
C7ay2 C7a y 2
C7az2 C7a z 2
C7ax3 C7a x 3
C7ay3 C7a y 3
C7az3 C7a z 3
C7ax4 C7a x 4
C7ay4 C7a y 4
C7az4 C7a z 4
S1bx1 S1b x 1
S1by1 S1b y 1
S1bz1 S1b z 1
S1bx2 S1b x 2
S1by2 S1b y 2
S1bz2 S1b z 2
S1bx3 S1b x 3
S1by3 S1b y 3
S1bz3 S1b z 3
O1bx1 O1b x 1
O1by1 O1b y 1
O1bz1 O1b z 1
O1bx2 O1b x 2
O1by2 O1b y 2
O1bz2 O1b z 2
O1bx3 O1b x 3
O1by3 O1b y 3
O1bz3 O1b z 3
O2bx1 O2b x 1
O2by1 O2b y 1
O2bz1 O2b z 1
O2bx2 O2b x 2
O2by2 O2b y 2
O2bz2 O2b z 2
O2bx3 O2b x 3
O2by3 O2b y 3
O2bz3 O2b z 3
O3bx1 O3b x 1
O3by1 O3b y 1
O3bz1 O3b z 1
O3bx2 O3b x 2
O3by2 O3b y 2
O3bz2 O3b z 2
O3bx3 O3b x 3
O3by3 O3b y 3
O3bz3 O3b z 3
N1bx1 N1b x 1
N1by1 N1b y 1
N1bz1 N1b z 1
N1bx2 N1b x 2
N1by2 N1b y 2
N1bz2 N1b z 2
N1bx3 N1b x 3
N1by3 N1b y 3
N1bz3 N1b z 3
C7bx1 C7b x 1
C7by1 C7b y 1
C7bz1 C7b z 1
C7bx2 C7b x 2
C7by2 C7b y 2
C7bz2 C7b z 2
C7bx3 C7b x 3
C7by3 C7b y 3
C7bz3 C7b z 3
O28wx1 O28w x 1
O28wy1 O28w y 1
O28wz1 O28w z 1
O28wx2 O28w x 2
O28wy2 O28w y 2
O28wz2 O28w z 2
O28wx3 O28w x 3
O28wy3 O28w y 3
O28wz3 O28w z 3
O28wx4 O28w x 4
O28wy4 O28w y 4
O28wz4 O28w z 4
O28w'x1 O28w' x 1
O28w'y1 O28w' y 1
O28w'z1 O28w' z 1
O28w'x2 O28w' x 2
O28w'y2 O28w' y 2
O28w'z2 O28w' z 2
O28w'x3 O28w' x 3
O28w'y3 O28w' y 3
O28w'z3 O28w' z 3
O28w'x4 O28w' x 4
O28w'y4 O28w' y 4
O28w'z4 O28w' z 4
O18wx1 O18w x 1
O18wy1 O18w y 1
O18wz1 O18w z 1
O18wx2 O18w x 2
O18wy2 O18w y 2
O18wz2 O18w z 2
O18wx3 O18w x 3
O18wy3 O18w y 3
O18wz3 O18w z 3
O18wx4 O18w x 4
O18wy4 O18w y 4
O18wz4 O18w z 4
O18w'x1 O18w' x 1
O18w'y1 O18w' y 1
O18w'z1 O18w' z 1
O18w'x2 O18w' x 2
O18w'y2 O18w' y 2
O18w'z2 O18w' z 2
O18w'x3 O18w' x 3
O18w'y3 O18w' y 3
O18w'z3 O18w' z 3
O18w'x4 O18w' x 4
O18w'y4 O18w' y 4
O18w'z4 O18w' z 4
O19w'x1 O19w' x 1
O19w'y1 O19w' y 1
O19w'z1 O19w' z 1
O19w'x2 O19w' x 2
O19w'y2 O19w' y 2
O19w'z2 O19w' z 2
O19w'x3 O19w' x 3
O19w'y3 O19w' y 3
O19w'z3 O19w' z 3
O19w'x4 O19w' x 4
O19w'y4 O19w' y 4
O19w'z4 O19w' z 4
O24wx1 O24w x 1
O24wy1 O24w y 1
O24wz1 O24w z 1
O24wx2 O24w x 2
O24wy2 O24w y 2
O24wz2 O24w z 2
O24wx3 O24w x 3
O24wy3 O24w y 3
O24wz3 O24w z 3
O24wx4 O24w x 4
O24wy4 O24w y 4
O24wz4 O24w z 4
O24w'x1 O24w' x 1
O24w'y1 O24w' y 1
O24w'z1 O24w' z 1
O24w'x2 O24w' x 2
O24w'y2 O24w' y 2
O24w'z2 O24w' z 2
O24w'x3 O24w' x 3
O24w'y3 O24w' y 3
O24w'z3 O24w' z 3
O24w'x4 O24w' x 4
O24w'y4 O24w' y 4
O24w'z4 O24w' z 4
O23wx1 O23w x 1
O23wy1 O23w y 1
O23wz1 O23w z 1
O23wx2 O23w x 2
O23wy2 O23w y 2
O23wz2 O23w z 2
O23wx3 O23w x 3
O23wy3 O23w y 3
O23wz3 O23w z 3
Na6x1 Na6 x 1
Na6y1 Na6 y 1
Na6z1 Na6 z 1
Na6x2 Na6 x 2
Na6y2 Na6 y 2
Na6z2 Na6 z 2
Na6x3 Na6 x 3
Na6y3 Na6 y 3
Na6z3 Na6 z 3
Na2x1 Na2 x 1
Na2y1 Na2 y 1
Na2z1 Na2 z 1
Na2x2 Na2 x 2
Na2y2 Na2 y 2
Na2z2 Na2 z 2
C1ax1 C1a x 1
C1ay1 C1a y 1
C1az1 C1a z 1
C1ax2 C1a x 2
C1ay2 C1a y 2
C1az2 C1a z 2
C1ax3 C1a x 3
C1ay3 C1a y 3
C1az3 C1a z 3
C1ax4 C1a x 4
C1ay4 C1a y 4
C1az4 C1a z 4
C2ax1 C2a x 1
C2ay1 C2a y 1
C2az1 C2a z 1
C2ax2 C2a x 2
C2ay2 C2a y 2
C2az2 C2a z 2
C2ax3 C2a x 3
C2ay3 C2a y 3
C2az3 C2a z 3
C2ax4 C2a x 4
C2ay4 C2a y 4
C2az4 C2a z 4
C3ax1 C3a x 1
C3ay1 C3a y 1
C3az1 C3a z 1
C3ax2 C3a x 2
C3ay2 C3a y 2
C3az2 C3a z 2
C3ax3 C3a x 3
C3ay3 C3a y 3
C3az3 C3a z 3
C3ax4 C3a x 4
C3ay4 C3a y 4
C3az4 C3a z 4
C4ax1 C4a x 1
C4ay1 C4a y 1
C4az1 C4a z 1
C4ax2 C4a x 2
C4ay2 C4a y 2
C4az2 C4a z 2
C4ax3 C4a x 3
C4ay3 C4a y 3
C4az3 C4a z 3
C4ax4 C4a x 4
C4ay4 C4a y 4
C4az4 C4a z 4
C5ax1 C5a x 1
C5ay1 C5a y 1
C5az1 C5a z 1
C5ax2 C5a x 2
C5ay2 C5a y 2
C5az2 C5a z 2
C5ax3 C5a x 3
C5ay3 C5a y 3
C5az3 C5a z 3
C5ax4 C5a x 4
C5ay4 C5a y 4
C5az4 C5a z 4
C6ax1 C6a x 1
C6ay1 C6a y 1
C6az1 C6a z 1
C6ax2 C6a x 2
C6ay2 C6a y 2
C6az2 C6a z 2
C6ax3 C6a x 3
C6ay3 C6a y 3
C6az3 C6a z 3
C6ax4 C6a x 4
C6ay4 C6a y 4
C6az4 C6a z 4
H1c3ax1 H1c3a x 1
H1c3ay1 H1c3a y 1
H1c3az1 H1c3a z 1
H1c3ax2 H1c3a x 2
H1c3ay2 H1c3a y 2
H1c3az2 H1c3a z 2
H1c3ax3 H1c3a x 3
H1c3ay3 H1c3a y 3
H1c3az3 H1c3a z 3
H1c3ax4 H1c3a x 4
H1c3ay4 H1c3a y 4
H1c3az4 H1c3a z 4
H1c4ax1 H1c4a x 1
H1c4ay1 H1c4a y 1
H1c4az1 H1c4a z 1
H1c4ax2 H1c4a x 2
H1c4ay2 H1c4a y 2
H1c4az2 H1c4a z 2
H1c4ax3 H1c4a x 3
H1c4ay3 H1c4a y 3
H1c4az3 H1c4a z 3
H1c4ax4 H1c4a x 4
H1c4ay4 H1c4a y 4
H1c4az4 H1c4a z 4
H1c5ax1 H1c5a x 1
H1c5ay1 H1c5a y 1
H1c5az1 H1c5a z 1
H1c5ax2 H1c5a x 2
H1c5ay2 H1c5a y 2
H1c5az2 H1c5a z 2
H1c5ax3 H1c5a x 3
H1c5ay3 H1c5a y 3
H1c5az3 H1c5a z 3
H1c5ax4 H1c5a x 4
H1c5ay4 H1c5a y 4
H1c5az4 H1c5a z 4
H1c6ax1 H1c6a x 1
H1c6ay1 H1c6a y 1
H1c6az1 H1c6a z 1
H1c6ax2 H1c6a x 2
H1c6ay2 H1c6a y 2
H1c6az2 H1c6a z 2
H1c6ax3 H1c6a x 3
H1c6ay3 H1c6a y 3
H1c6az3 H1c6a z 3
H1c6ax4 H1c6a x 4
H1c6ay4 H1c6a y 4
H1c6az4 H1c6a z 4
C1bx1 C1b x 1
C1by1 C1b y 1
C1bz1 C1b z 1
C1bx2 C1b x 2
C1by2 C1b y 2
C1bz2 C1b z 2
C1bx3 C1b x 3
C1by3 C1b y 3
C1bz3 C1b z 3
C2bx1 C2b x 1
C2by1 C2b y 1
C2bz1 C2b z 1
C2bx2 C2b x 2
C2by2 C2b y 2
C2bz2 C2b z 2
C2bx3 C2b x 3
C2by3 C2b y 3
C2bz3 C2b z 3
C3bx1 C3b x 1
C3by1 C3b y 1
C3bz1 C3b z 1
C3bx2 C3b x 2
C3by2 C3b y 2
C3bz2 C3b z 2
C3bx3 C3b x 3
C3by3 C3b y 3
C3bz3 C3b z 3
C4bx1 C4b x 1
C4by1 C4b y 1
C4bz1 C4b z 1
C4bx2 C4b x 2
C4by2 C4b y 2
C4bz2 C4b z 2
C4bx3 C4b x 3
C4by3 C4b y 3
C4bz3 C4b z 3
C5bx1 C5b x 1
C5by1 C5b y 1
C5bz1 C5b z 1
C5bx2 C5b x 2
C5by2 C5b y 2
C5bz2 C5b z 2
C5bx3 C5b x 3
C5by3 C5b y 3
C5bz3 C5b z 3
C6bx1 C6b x 1
C6by1 C6b y 1
C6bz1 C6b z 1
C6bx2 C6b x 2
C6by2 C6b y 2
C6bz2 C6b z 2
C6bx3 C6b x 3
C6by3 C6b y 3
C6bz3 C6b z 3
H1c3bx1 H1c3b x 1
H1c3by1 H1c3b y 1
H1c3bz1 H1c3b z 1
H1c3bx2 H1c3b x 2
H1c3by2 H1c3b y 2
H1c3bz2 H1c3b z 2
H1c3bx3 H1c3b x 3
H1c3by3 H1c3b y 3
H1c3bz3 H1c3b z 3
H1c4bx1 H1c4b x 1
H1c4by1 H1c4b y 1
H1c4bz1 H1c4b z 1
H1c4bx2 H1c4b x 2
H1c4by2 H1c4b y 2
H1c4bz2 H1c4b z 2
H1c4bx3 H1c4b x 3
H1c4by3 H1c4b y 3
H1c4bz3 H1c4b z 3
H1c5bx1 H1c5b x 1
H1c5by1 H1c5b y 1
H1c5bz1 H1c5b z 1
H1c5bx2 H1c5b x 2
H1c5by2 H1c5b y 2
H1c5bz2 H1c5b z 2
H1c5bx3 H1c5b x 3
H1c5by3 H1c5b y 3
H1c5bz3 H1c5b z 3
H1c6bx1 H1c6b x 1
H1c6by1 H1c6b y 1
H1c6bz1 H1c6b z 1
H1c6bx2 H1c6b x 2
H1c6by2 H1c6b y 2
H1c6bz2 H1c6b z 2
H1c6bx3 H1c6b x 3
H1c6by3 H1c6b y 3
H1c6bz3 H1c6b z 3

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
S1ax1 -0.002931(15) 0.001870(14)
S1ay1 0.01801(5) -0.00944(5)
S1az1 -0.001068(11) 0.000819(10)
S1ax2 0.007288(14) 0.003482(15)
S1ay2 0.00003(5) 0.02366(5)
S1az2 -0.000722(10) -0.001572(11)
S1ax3 -0.003838(14) 0.016311(14)
S1ay3 -0.01240(5) 0.00381(5)
S1az3 -0.000610(11) 0.003026(10)
S1ax4 0 -0.000987(12)
S1ay4 0 -0.01103(4)
S1az4 0 -0.000350(9)
O1ax1 -0.00005(4) -0.00167(4)
O1ay1 0.02130(13) 0.00373(14)
O1az1 0.00267(3) 0.00046(3)
O1ax2 -0.00555(4) 0.00609(4)
O1ay2 -0.02726(13) -0.00168(13)
O1az2 0.00122(3) -0.00060(3)
O1ax3 -0.00808(4) -0.01442(4)
O1ay3 0.00846(14) -0.01203(13)
O1az3 -0.00212(3) -0.00305(3)
O1ax4 0 0.00281(3)
O1ay4 0 0.01425(11)
O1az4 0 0.00033(3)
O2ax1 -0.00214(4) 0.00337(4)
O2ay1 0.00264(14) -0.01861(13)
O2az1 -0.00326(3) 0.00189(3)
O2ax2 0.00101(4) -0.00758(4)
O2ay2 0.02665(13) 0.00201(13)
O2az2 -0.00165(3) 0.00216(3)
O2ax3 0.01391(4) -0.01093(4)
O2ay3 0.01091(13) 0.00820(14)
O2az3 0.00194(3) -0.00140(3)
O2ax4 0 -0.00053(3)
O2ay4 0 0.01282(11)
O2az4 0 0.00056(2)
O3ax1 -0.00395(4) 0.01508(4)
O3ay1 0.03730(13) 0.00232(13)
O3az1 -0.00189(3) 0.00727(3)
O3ax2 0.01180(4) 0.00105(4)
O3ay2 0.01223(13) 0.00639(13)
O3az2 0.00025(3) -0.00163(3)
O3ax3 -0.00012(4) 0.01493(4)
O3ay3 -0.00635(14) 0.02090(13)
O3az3 0.00018(3) 0.00215(3)
O3ax4 0 0.00045(3)
O3ay4 0 -0.00281(10)
O3az4 0 0.00027(2)
N1ax1 -0.00328(5) 0.00951(5)
N1ay1 0.02847(15) -0.01000(15)
N1az1 -0.00144(3) 0.00213(3)
N1ax2 0.00984(5) 0.00135(5)
N1ay2 0.00873(15) 0.01925(15)
N1az2 -0.00099(3) -0.00135(3)
N1ax3 0.00049(5) 0.01571(5)
N1ay3 -0.00926(15) 0.01149(15)
N1az3 0.00011(3) 0.00288(3)
N1ax4 0 -0.00010(3)
N1ay4 0 -0.00877(11)
N1az4 0 -0.00025(2)
C7ax1 -0.00392(6) 0.01031(6)
C7ay1 0.02682(17) -0.00107(17)
C7az1 -0.00170(4) 0.00587(4)
C7ax2 0.01009(6) 0.00264(6)
C7ay2 0.00927(17) 0.01185(17)
C7az2 0.00019(4) -0.00165(4)
C7ax3 -0.00248(6) 0.01536(6)
C7ay3 -0.00899(18) 0.01324(17)
C7az3 -0.00021(4) 0.00232(4)
C7ax4 0 -0.00010(4)
C7ay4 0 -0.00468(13)
C7az4 0 0.00007(3)
S1bx1 -0.002189(15) 0.02422(2)
S1by1 -0.04059(5) -0.01215(8)
S1bz1 0.002427(11) 0.004902(19)
S1bx2 -0.01283(2) 0.003770(17)
S1by2 0.02509(7) -0.05779(5)
S1bz2 -0.006798(17) 0.003463(13)
S1bx3 -0.006521(19) 0.00389(2)
S1by3 0.02322(6) 0.00862(7)
S1bz3 0.000512(15) -0.002003(16)
O1bx1 0.02686(7) 0.01360(6)
O1by1 -0.05380(20) 0.03652(16)
O1bz1 0.00747(5) 0.00557(4)
O1bx2 0.01390(5) 0.01923(7)
O1by2 -0.07660(15) -0.0395(2)
O1bz2 0.00172(4) 0.00893(5)
O1bx3 0.00885(4) 0.00437(7)
O1by3 -0.00802(13) -0.0265(2)
O1bz3 -0.00261(3) 0.00021(6)
O2bx1 -0.03091(5) 0.00797(7)
O2by1 -0.02867(16) -0.0524(2)
O2bz1 -0.00538(4) 0.00636(5)
O2bx2 0.00610(5) -0.00888(6)
O2by2 0.07779(15) 0.03161(19)
O2bz2 -0.00664(4) -0.00782(5)
O2bx3 0.00153(7) -0.00646(4)
O2by3 -0.0244(2) 0.01439(13)
O2bz3 0.00291(6) 0.00164(3)
O3bx1 0.00333(4) 0.02292(6)
O3by1 0.04968(15) -0.0037(2)
O3bz1 0.00606(4) -0.01486(5)
O3bx2 -0.01222(5) 0.01004(5)
O3by2 -0.00415(17) 0.01062(18)
O3bz2 0.00071(4) -0.00096(4)
O3bx3 -0.00461(6) 0.00485(4)
O3by3 0.01026(20) 0.00711(15)
O3bz3 0.00252(5) 0.00098(3)
N1bx1 0.00191(5) 0.02976(8)
N1by1 -0.00138(16) -0.0101(2)
N1bz1 0.00457(4) -0.00272(6)
N1bx2 -0.01458(7) 0.01036(6)
N1by2 0.0047(2) -0.0358(2)
N1bz2 -0.00322(5) 0.00280(5)
N1bx3 -0.00571(7) 0.00424(6)
N1by3 0.0227(2) 0.00325(17)
N1bz3 0.00096(5) -0.00073(4)
C7bx1 0.00126(6) 0.02107(9)
C7by1 0.01896(18) -0.0039(3)
C7bz1 0.00565(5) -0.00800(7)
C7bx2 -0.01158(8) 0.00650(7)
C7by2 0.0008(2) -0.0111(2)
C7bz2 -0.00155(6) 0.00108(5)
C7bx3 -0.00492(8) 0.00502(7)
C7by3 0.0137(2) 0.0049(2)
C7bz3 0.00129(6) 0.00012(5)
O28wx1 -0.02629(10) 0.00701(8)
O28wy1 0.0099(3) 0.0027(2)
O28wz1 0.00897(7) 0.00285(6)
O28wx2 -0.00655(5) -0.00117(12)
O28wy2 0.00798(15) -0.0243(3)
O28wz2 -0.00129(4) 0.00117(8)
O28wx3 0.00212(6) -0.00997(11)
O28wy3 0.01027(18) -0.0260(3)
O28wz3 -0.00531(5) -0.00324(8)
O28wx4 0 -0.00074(14)
O28wy4 0 -0.0180(4)
O28wz4 0 -0.00677(10)
O28w'x1 -0.02629(10) 0.00701(8)
O28w'y1 0.0099(3) 0.0027(2)
O28w'z1 0.00897(7) 0.00285(6)
O28w'x2 -0.00655(5) -0.00117(12)
O28w'y2 0.00798(15) -0.0243(3)
O28w'z2 -0.00129(4) 0.00117(8)
O28w'x3 0.00212(6) -0.00997(11)
O28w'y3 0.01027(18) -0.0260(3)
O28w'z3 -0.00531(5) -0.00324(8)
O28w'x4 0 -0.00074(14)
O28w'y4 0 -0.0180(4)
O28w'z4 0 -0.00677(10)
O18wx1 0.02276(13) 0.02239(6)
O18wy1 -0.0312(4) -0.00178(18)
O18wz1 -0.00785(10) 0.00392(4)
O18wx2 0.00352(12) 0.00141(8)
O18wy2 -0.0079(4) 0.0015(2)
O18wz2 -0.00378(10) 0.00039(6)
O18wx3 0.00106(13) -0.02114(7)
O18wy3 -0.0101(4) 0.01458(19)
O18wz3 -0.00139(10) -0.00393(5)
O18wx4 0.00274(7) 0
O18wy4 -0.0017(2) 0
O18wz4 0.00167(6) 0
O18w'x1 0.02276(13) 0.02239(6)
O18w'y1 -0.0312(4) -0.00178(18)
O18w'z1 -0.00785(10) 0.00392(4)
O18w'x2 0.00352(12) 0.00141(8)
O18w'y2 -0.0079(4) 0.0015(2)
O18w'z2 -0.00378(10) 0.00039(6)
O18w'x3 0.00106(13) -0.02114(7)
O18w'y3 -0.0101(4) 0.01458(19)
O18w'z3 -0.00139(10) -0.00393(5)
O18w'x4 0.00274(7) 0
O18w'y4 -0.0017(2) 0
O18w'z4 0.00167(6) 0
O19w'x1 0.02276(13) 0.02239(6)
O19w'y1 -0.0312(4) -0.00178(18)
O19w'z1 -0.00785(10) 0.00392(4)
O19w'x2 0.00352(12) 0.00141(8)
O19w'y2 -0.0079(4) 0.0015(2)
O19w'z2 -0.00378(10) 0.00039(6)
O19w'x3 0.00106(13) -0.02114(7)
O19w'y3 -0.0101(4) 0.01458(19)
O19w'z3 -0.00139(10) -0.00393(5)
O19w'x4 0.00274(7) 0
O19w'y4 -0.0017(2) 0
O19w'z4 0.00167(6) 0
O24wx1 -0.00017(5) 0.00336(9)
O24wy1 -0.00438(16) -0.0159(3)
O24wz1 -0.00011(4) 0.00691(6)
O24wx2 0.00447(8) 0.00352(6)
O24wy2 0.0099(3) -0.01419(18)
O24wz2 0.00250(6) 0.00134(4)
O24wx3 -0.00508(7) 0.01253(7)
O24wy3 0.0191(2) 0.0107(2)
O24wz3 0.00088(5) 0.00181(5)
O24wx4 0 -0.00097(6)
O24wy4 0 0.03148(19)
O24wz4 0 -0.00115(4)
O24w'x1 -0.00017(5) 0.00336(9)
O24w'y1 -0.00438(16) -0.0159(3)
O24w'z1 -0.00011(4) 0.00691(6)
O24w'x2 0.00447(8) 0.00352(6)
O24w'y2 0.0099(3) -0.01419(18)
O24w'z2 0.00250(6) 0.00134(4)
O24w'x3 -0.00508(7) 0.01253(7)
O24w'y3 0.0191(2) 0.0107(2)
O24w'z3 0.00088(5) 0.00181(5)
O24w'x4 0 -0.00097(6)
O24w'y4 0 0.03148(19)
O24w'z4 0 -0.00115(4)
O23wx1 -0.00994(5) 0.03158(14)
O23wy1 -0.08889(17) 0.0261(4)
O23wz1 0.00057(4) 0.00204(11)
O23wx2 -0.04256(11) -0.03512(6)
O23wy2 -0.0369(3) -0.0182(2)
O23wz2 0.01044(8) 0.00724(5)
O23wx3 0 0.00808(8)
O23wy3 0 -0.0383(2)
O23wz3 0 0.00377(6)
Na6x1 -0.00821(3) 0.03435(8)
Na6y1 -0.06273(9) 0.0449(3)
Na6z1 -0.00044(2) 0.00254(6)
Na6x2 -0.01908(6) -0.01093(4)
Na6y2 -0.04080(19) -0.01403(11)
Na6z2 0.00516(5) 0.00361(3)
Na6x3 0 0.00223(4)
Na6y3 0 -0.03774(13)
Na6z3 0 0.00404(3)
Na2x1 -0.01335(13) 0.02035(15)
Na2y1 0.0899(4) 0.2274(5)
Na2z1 0.00298(10) 0.00031(12)
Na2x2 -0.01969(4) 0.00086(11)
Na2y2 -0.07223(13) 0.0538(3)
Na2z2 0.00021(3) 0.00041(8)
C1ax1 -0.00231(3) -0.00074(3)
C1ay1 0.00986(11) -0.00318(11)
C1az1 -0.00217(2) 0.00552(2)
C1ax2 0.00589(3) 0.00578(3)
C1ay2 -0.00237(12) 0.01373(12)
C1az2 0.00091(2) -0.00141(2)
C1ax3 -0.01052(3) 0.01338(3)
C1ay3 -0.00950(12) 0.00172(12)
C1az3 -0.00154(2) 0.00201(2)
C1ax4 -0.00387(7) -0.00886(15)
C1ay4 -0.0117(2) -0.0267(6)
C1az4 0.00020(5) 0.00046(11)
C2ax1 -0.00345(3) 0.00410(3)
C2ay1 0.01297(11) 0.00191(11)
C2az1 -0.00258(2) 0.00777(2)
C2ax2 0.00751(3) 0.00571(3)
C2ay2 0.00526(12) 0.01005(12)
C2az2 0.00139(2) -0.00131(2)
C2ax3 -0.00894(3) 0.01351(3)
C2ay3 -0.00957(12) 0.00595(12)
C2az3 -0.00115(2) 0.00178(2)
C2ax4 -0.00322(8) -0.00565(14)
C2ay4 -0.0063(3) -0.0110(5)
C2az4 0.00091(6) 0.00160(10)
C3ax1 -0.00347(3) 0.00327(4)
C3ay1 0.00599(12) 0.00702(12)
C3az1 -0.00428(2) 0.01111(2)
C3ax2 0.00593(3) 0.00727(3)
C3ay2 0.00884(12) 0.00537(12)
C3az2 0.00265(2) -0.00054(2)
C3ax3 -0.01261(3) 0.01020(3)
C3ay3 -0.00868(12) 0.00651(12)
C3az3 -0.00122(2) 0.00099(2)
C3ax4 -0.00102(2) -0.00817(18)
C3ay4 0.00305(8) 0.0245(6)
C3az4 0.000463(13) 0.00371(11)
C4ax1 -0.00121(3) -0.00216(3)
C4ay1 -0.00399(11) 0.00453(11)
C4az1 -0.00595(2) 0.01183(2)
C4ax2 0.00246(3) 0.00779(3)
C4ay2 0.00587(11) 0.00396(11)
C4az2 0.00312(2) 0.00044(2)
C4ax3 -0.01636(3) 0.00493(3)
C4ay3 -0.00734(12) 0.00431(11)
C4az3 -0.00140(2) 0.00040(2)
C4ax4 0.00488(6) -0.01229(15)
C4ay4 -0.0164(2) 0.0413(5)
C4az4 -0.00156(4) 0.00394(11)
C5ax1 0.00113(3) -0.00651(3)
C5ay1 -0.00577(11) -0.00159(11)
C5az1 -0.00518(2) 0.00963(2)
C5ax2 0.00096(3) 0.00707(3)
C5ay2 -0.00230(12) 0.00431(12)
C5az2 0.00267(2) 0.00021(2)
C5ax3 -0.01754(3) 0.00362(3)
C5ay3 -0.00514(12) 0.00124(12)
C5az3 -0.00184(2) 0.00037(2)
C5ax4 0.00780(8) -0.01444(14)
C5ay4 -0.0131(3) 0.0242(5)
C5az4 -0.00136(5) 0.00252(10)
C6ax1 0.00009(4) -0.00618(4)
C6ay1 0.00100(12) -0.00452(12)
C6az1 -0.00304(2) 0.00652(2)
C6ax2 0.00270(4) 0.00656(4)
C6ay2 -0.00767(12) 0.00957(12)
C6az2 0.00167(2) -0.00090(2)
C6ax3 -0.01556(4) 0.00883(4)
C6ay3 -0.00611(12) -0.00122(12)
C6az3 -0.00210(2) 0.00121(2)
C6ax4 0.001347(17) -0.01460(18)
C6ay4 0.00091(6) -0.0099(6)
C6az4 -0.000088(10) 0.00095(11)
H1c3ax1 -0.00445(5) 0.00658(5)
H1c3ay1 0.00796(17) 0.01085(17)
H1c3az1 -0.00460(3) 0.01272(3)
H1c3ax2 0.00706(5) 0.00737(5)
H1c3ay2 0.01425(18) 0.00315(18)
H1c3az2 0.00301(3) -0.00046(3)
H1c3ax3 -0.01161(5) 0.01049(5)
H1c3ay3 -0.00903(18) 0.00933(18)
H1c3az3 -0.00095(3) 0.00085(3)
H1c3ax4 -0.00118(5) -0.0059(2)
H1c3ay4 0.00712(18) 0.0359(9)
H1c3az4 0.00091(3) 0.00461(13)
H1c4ax1 -0.00070(4) -0.00260(4)
H1c4ay1 -0.00953(17) 0.00587(17)
H1c4az1 -0.00788(3) 0.01375(3)
H1c4ax2 0.00110(4) 0.00807(4)
H1c4ay2 0.01031(17) 0.00259(17)
H1c4az2 0.00357(3) 0.00143(3)
H1c4ax3 -0.01707(4) 0.00140(4)
H1c4ay3 -0.00810(17) 0.00568(17)
H1c4az3 -0.00107(3) 0.00004(3)
H1c4ax4 0.00876(13) -0.01153(16)
H1c4ay4 -0.0427(5) 0.0562(7)
H1c4az4 -0.00336(9) 0.00443(12)
H1c5ax1 0.00395(4) -0.00954(4)
H1c5ay1 -0.01166(17) -0.00497(17)
H1c5az1 -0.00641(3) 0.01009(3)
H1c5ax2 -0.00124(4) 0.00641(4)
H1c5ay2 -0.00318(17) 0.00125(17)
H1c5az2 0.00283(3) 0.00100(3)
H1c5ax3 -0.01844(4) -0.00150(4)
H1c5ay3 -0.00366(18) 0.00158(18)
H1c5az3 -0.00177(3) -0.00017(3)
H1c5ax4 0.01517(16) -0.01292(14)
H1c5ay4 -0.0320(7) 0.0272(6)
H1c5az4 -0.00247(12) 0.00210(10)
H1c6ax1 0.00152(5) -0.00931(5)
H1c6ay1 -0.00038(18) -0.00859(18)
H1c6az1 -0.00250(3) 0.00497(3)
H1c6ax2 0.00167(5) 0.00618(5)
H1c6ay2 -0.01347(18) 0.01027(18)
H1c6az2 0.00136(3) -0.00108(3)
H1c6ax3 -0.01650(5) 0.00828(5)
H1c6ay3 -0.00474(18) -0.00362(18)
H1c6az3 -0.00242(3) 0.00124(3)
H1c6ax4 0.00267(4) -0.0166(2)
H1c6ay4 0.00348(15) -0.0217(9)
H1c6az4 0.00000(2) 0.00000(14)
C1bx1 -0.00038(4) 0.00906(7)
C1by1 -0.02121(12) -0.0109(2)
C1bz1 0.00368(2) 0.00191(4)
C1bx2 -0.00656(6) -0.00114(4)
C1by2 0.0226(2) -0.02619(12)
C1bz2 -0.00601(4) 0.00149(2)
C1bx3 -0.00720(4) 0.00371(6)
C1by3 0.01266(13) 0.0080(2)
C1bz3 0.00124(2) -0.00128(3)
C2bx1 0.00063(4) 0.00997(7)
C2by1 0.00298(12) -0.0026(2)
C2bz1 0.00616(2) -0.00546(4)
C2bx2 -0.00730(6) 0.00035(4)
C2by2 0.0064(2) -0.01042(13)
C2bz2 -0.00275(3) 0.00072(2)
C2bx3 -0.00651(4) 0.00483(6)
C2by3 0.00968(14) 0.0046(2)
C2bz3 0.00119(2) -0.00002(3)
C3bx1 0.00277(3) 0.00072(5)
C3by1 0.01742(12) 0.0042(2)
C3bz1 0.00839(3) -0.00924(5)
C3bx2 -0.00261(5) -0.00257(3)
C3by2 -0.0050(2) 0.00625(12)
C3bz2 -0.00093(5) -0.00015(3)
C3bx3 -0.00761(3) 0.00497(4)
C3by3 0.00274(13) 0.0004(2)
C3bz3 0.00096(3) 0.00099(4)
C4bx1 0.00663(4) -0.00854(7)
C4by1 0.00620(12) 0.0024(2)
C4bz1 0.00798(2) -0.00524(4)
C4bx2 0.00402(6) -0.00384(4)
C4by2 -0.0032(2) 0.00416(12)
C4bz2 -0.00243(4) -0.00024(2)
C4bx3 -0.00987(4) 0.00315(6)
C4by3 0.00281(13) -0.0030(2)
C4bz3 0.00074(2) 0.00055(3)
C5bx1 0.00693(4) -0.00900(6)
C5by1 -0.01594(12) -0.0109(2)
C5bz1 0.00398(2) 0.00144(4)
C5bx2 0.00523(6) -0.00354(4)
C5by2 0.0171(2) -0.00502(13)
C5bz2 -0.00575(4) -0.00088(2)
C5bx3 -0.01029(4) 0.00159(6)
C5by3 0.00541(14) 0.0015(2)
C5bz3 0.00159(2) -0.00045(3)
C6bx1 0.00209(3) -0.00069(5)
C6by1 -0.03025(13) -0.0180(2)
C6bz1 0.00172(3) 0.00523(5)
C6bx2 -0.00031(5) -0.00379(3)
C6by2 0.0327(2) -0.01955(13)
C6bz2 -0.00779(5) -0.00003(3)
C6bx3 -0.00885(3) 0.00226(4)
C6by3 0.00848(13) 0.0081(2)
C6bz3 0.00190(3) -0.00143(4)
H1c3bx1 0.00310(3) 0.00112(5)
H1c3by1 0.03484(18) 0.0091(3)
H1c3bz1 0.00986(4) -0.01454(7)
H1c3bx2 -0.00324(4) -0.00196(3)
H1c3by2 -0.0145(3) 0.01894(19)
H1c3bz2 0.00126(6) -0.00096(4)
H1c3bx3 -0.00699(3) 0.00578(4)
H1c3by3 -0.0002(2) -0.0010(3)
H1c3bz3 0.00110(4) 0.00190(6)
H1c4bx1 0.01051(5) -0.01415(9)
H1c4by1 0.01452(18) 0.0091(3)
H1c4bz1 0.01007(2) -0.00733(4)
H1c4bx2 0.00801(8) -0.00314(5)
H1c4by2 -0.0161(3) 0.00992(19)
H1c4bz2 -0.00110(4) -0.00027(3)
H1c4bx3 -0.01111(6) 0.00233(8)
H1c4by3 0.0028(2) -0.0083(3)
H1c4bz3 0.00022(3) 0.00098(4)
H1c5bx1 0.01165(5) -0.01455(9)
H1c5by1 -0.02109(19) -0.0161(3)
H1c5bz1 0.00250(3) 0.00337(4)
H1c5bx2 0.00979(8) -0.00164(6)
H1c5by2 0.0196(3) -0.0010(2)
H1c5bz2 -0.00648(4) -0.00217(3)
H1c5bx3 -0.01146(7) -0.00054(7)
H1c5by3 0.0065(3) 0.0001(3)
H1c5bz3 0.00204(3) -0.00034(4)
H1c6bx1 0.00191(3) -0.00114(5)
H1c6by1 -0.04519(19) -0.0283(3)
H1c6bz1 -0.00136(4) 0.00975(7)
H1c6bx2 0.00055(4) -0.00399(3)
H1c6by2 0.0484(3) -0.02389(19)
H1c6bz2 -0.01013(6) -0.00077(4)
H1c6bx3 -0.00906(3) 0.00124(4)
H1c6by3 0.0092(2) 0.0117(3)
H1c6bz3 0.00265(4) -0.00203(6)

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
S1aU111 S1a U11 1
S1aU221 S1a U22 1
S1aU331 S1a U33 1
S1aU121 S1a U12 1
S1aU131 S1a U13 1
S1aU231 S1a U23 1
S1aU112 S1a U11 2
S1aU222 S1a U22 2
S1aU332 S1a U33 2
S1aU122 S1a U12 2
S1aU132 S1a U13 2
S1aU232 S1a U23 2
S1aU113 S1a U11 3
S1aU223 S1a U22 3
S1aU333 S1a U33 3
S1aU123 S1a U12 3
S1aU133 S1a U13 3
S1aU233 S1a U23 3
S1aU114 S1a U11 4
S1aU224 S1a U22 4
S1aU334 S1a U33 4
S1aU124 S1a U12 4
S1aU134 S1a U13 4
S1aU234 S1a U23 4
O1aU111 O1a U11 1
O1aU221 O1a U22 1
O1aU331 O1a U33 1
O1aU121 O1a U12 1
O1aU131 O1a U13 1
O1aU231 O1a U23 1
O1aU112 O1a U11 2
O1aU222 O1a U22 2
O1aU332 O1a U33 2
O1aU122 O1a U12 2
O1aU132 O1a U13 2
O1aU232 O1a U23 2
O1aU113 O1a U11 3
O1aU223 O1a U22 3
O1aU333 O1a U33 3
O1aU123 O1a U12 3
O1aU133 O1a U13 3
O1aU233 O1a U23 3
O1aU114 O1a U11 4
O1aU224 O1a U22 4
O1aU334 O1a U33 4
O1aU124 O1a U12 4
O1aU134 O1a U13 4
O1aU234 O1a U23 4
O2aU111 O2a U11 1
O2aU221 O2a U22 1
O2aU331 O2a U33 1
O2aU121 O2a U12 1
O2aU131 O2a U13 1
O2aU231 O2a U23 1
O2aU112 O2a U11 2
O2aU222 O2a U22 2
O2aU332 O2a U33 2
O2aU122 O2a U12 2
O2aU132 O2a U13 2
O2aU232 O2a U23 2
O2aU113 O2a U11 3
O2aU223 O2a U22 3
O2aU333 O2a U33 3
O2aU123 O2a U12 3
O2aU133 O2a U13 3
O2aU233 O2a U23 3
O2aU114 O2a U11 4
O2aU224 O2a U22 4
O2aU334 O2a U33 4
O2aU124 O2a U12 4
O2aU134 O2a U13 4
O2aU234 O2a U23 4
O3aU111 O3a U11 1
O3aU221 O3a U22 1
O3aU331 O3a U33 1
O3aU121 O3a U12 1
O3aU131 O3a U13 1
O3aU231 O3a U23 1
O3aU112 O3a U11 2
O3aU222 O3a U22 2
O3aU332 O3a U33 2
O3aU122 O3a U12 2
O3aU132 O3a U13 2
O3aU232 O3a U23 2
O3aU113 O3a U11 3
O3aU223 O3a U22 3
O3aU333 O3a U33 3
O3aU123 O3a U12 3
O3aU133 O3a U13 3
O3aU233 O3a U23 3
O3aU114 O3a U11 4
O3aU224 O3a U22 4
O3aU334 O3a U33 4
O3aU124 O3a U12 4
O3aU134 O3a U13 4
O3aU234 O3a U23 4
N1aU111 N1a U11 1
N1aU221 N1a U22 1
N1aU331 N1a U33 1
N1aU121 N1a U12 1
N1aU131 N1a U13 1
N1aU231 N1a U23 1
N1aU112 N1a U11 2
N1aU222 N1a U22 2
N1aU332 N1a U33 2
N1aU122 N1a U12 2
N1aU132 N1a U13 2
N1aU232 N1a U23 2
N1aU113 N1a U11 3
N1aU223 N1a U22 3
N1aU333 N1a U33 3
N1aU123 N1a U12 3
N1aU133 N1a U13 3
N1aU233 N1a U23 3
N1aU114 N1a U11 4
N1aU224 N1a U22 4
N1aU334 N1a U33 4
N1aU124 N1a U12 4
N1aU134 N1a U13 4
N1aU234 N1a U23 4
C7aU111 C7a U11 1
C7aU221 C7a U22 1
C7aU331 C7a U33 1
C7aU121 C7a U12 1
C7aU131 C7a U13 1
C7aU231 C7a U23 1
C7aU112 C7a U11 2
C7aU222 C7a U22 2
C7aU332 C7a U33 2
C7aU122 C7a U12 2
C7aU132 C7a U13 2
C7aU232 C7a U23 2
C7aU113 C7a U11 3
C7aU223 C7a U22 3
C7aU333 C7a U33 3
C7aU123 C7a U12 3
C7aU133 C7a U13 3
C7aU233 C7a U23 3
C7aU114 C7a U11 4
C7aU224 C7a U22 4
C7aU334 C7a U33 4
C7aU124 C7a U12 4
C7aU134 C7a U13 4
C7aU234 C7a U23 4
S1bU111 S1b U11 1
S1bU221 S1b U22 1
S1bU331 S1b U33 1
S1bU121 S1b U12 1
S1bU131 S1b U13 1
S1bU231 S1b U23 1
S1bU112 S1b U11 2
S1bU222 S1b U22 2
S1bU332 S1b U33 2
S1bU122 S1b U12 2
S1bU132 S1b U13 2
S1bU232 S1b U23 2
S1bU113 S1b U11 3
S1bU223 S1b U22 3
S1bU333 S1b U33 3
S1bU123 S1b U12 3
S1bU133 S1b U13 3
S1bU233 S1b U23 3
S1b'U111 S1b' U11 1
S1b'U221 S1b' U22 1
S1b'U331 S1b' U33 1
S1b'U121 S1b' U12 1
S1b'U131 S1b' U13 1
S1b'U231 S1b' U23 1
S1b'U112 S1b' U11 2
S1b'U222 S1b' U22 2
S1b'U332 S1b' U33 2
S1b'U122 S1b' U12 2
S1b'U132 S1b' U13 2
S1b'U232 S1b' U23 2
S1b'U113 S1b' U11 3
S1b'U223 S1b' U22 3
S1b'U333 S1b' U33 3
S1b'U123 S1b' U12 3
S1b'U133 S1b' U13 3
S1b'U233 S1b' U23 3
S1b''U111 S1b'' U11 1
S1b''U221 S1b'' U22 1
S1b''U331 S1b'' U33 1
S1b''U121 S1b'' U12 1
S1b''U131 S1b'' U13 1
S1b''U231 S1b'' U23 1
S1b''U112 S1b'' U11 2
S1b''U222 S1b'' U22 2
S1b''U332 S1b'' U33 2
S1b''U122 S1b'' U12 2
S1b''U132 S1b'' U13 2
S1b''U232 S1b'' U23 2
S1b''U113 S1b'' U11 3
S1b''U223 S1b'' U22 3
S1b''U333 S1b'' U33 3
S1b''U123 S1b'' U12 3
S1b''U133 S1b'' U13 3
S1b''U233 S1b'' U23 3
O1bU111 O1b U11 1
O1bU221 O1b U22 1
O1bU331 O1b U33 1
O1bU121 O1b U12 1
O1bU131 O1b U13 1
O1bU231 O1b U23 1
O1bU112 O1b U11 2
O1bU222 O1b U22 2
O1bU332 O1b U33 2
O1bU122 O1b U12 2
O1bU132 O1b U13 2
O1bU232 O1b U23 2
O1bU113 O1b U11 3
O1bU223 O1b U22 3
O1bU333 O1b U33 3
O1bU123 O1b U12 3
O1bU133 O1b U13 3
O1bU233 O1b U23 3
O1b'U111 O1b' U11 1
O1b'U221 O1b' U22 1
O1b'U331 O1b' U33 1
O1b'U121 O1b' U12 1
O1b'U131 O1b' U13 1
O1b'U231 O1b' U23 1
O1b'U112 O1b' U11 2
O1b'U222 O1b' U22 2
O1b'U332 O1b' U33 2
O1b'U122 O1b' U12 2
O1b'U132 O1b' U13 2
O1b'U232 O1b' U23 2
O1b'U113 O1b' U11 3
O1b'U223 O1b' U22 3
O1b'U333 O1b' U33 3
O1b'U123 O1b' U12 3
O1b'U133 O1b' U13 3
O1b'U233 O1b' U23 3
O1b''U111 O1b'' U11 1
O1b''U221 O1b'' U22 1
O1b''U331 O1b'' U33 1
O1b''U121 O1b'' U12 1
O1b''U131 O1b'' U13 1
O1b''U231 O1b'' U23 1
O1b''U112 O1b'' U11 2
O1b''U222 O1b'' U22 2
O1b''U332 O1b'' U33 2
O1b''U122 O1b'' U12 2
O1b''U132 O1b'' U13 2
O1b''U232 O1b'' U23 2
O1b''U113 O1b'' U11 3
O1b''U223 O1b'' U22 3
O1b''U333 O1b'' U33 3
O1b''U123 O1b'' U12 3
O1b''U133 O1b'' U13 3
O1b''U233 O1b'' U23 3
O2bU111 O2b U11 1
O2bU221 O2b U22 1
O2bU331 O2b U33 1
O2bU121 O2b U12 1
O2bU131 O2b U13 1
O2bU231 O2b U23 1
O2bU112 O2b U11 2
O2bU222 O2b U22 2
O2bU332 O2b U33 2
O2bU122 O2b U12 2
O2bU132 O2b U13 2
O2bU232 O2b U23 2
O2bU113 O2b U11 3
O2bU223 O2b U22 3
O2bU333 O2b U33 3
O2bU123 O2b U12 3
O2bU133 O2b U13 3
O2bU233 O2b U23 3
O2b'U111 O2b' U11 1
O2b'U221 O2b' U22 1
O2b'U331 O2b' U33 1
O2b'U121 O2b' U12 1
O2b'U131 O2b' U13 1
O2b'U231 O2b' U23 1
O2b'U112 O2b' U11 2
O2b'U222 O2b' U22 2
O2b'U332 O2b' U33 2
O2b'U122 O2b' U12 2
O2b'U132 O2b' U13 2
O2b'U232 O2b' U23 2
O2b'U113 O2b' U11 3
O2b'U223 O2b' U22 3
O2b'U333 O2b' U33 3
O2b'U123 O2b' U12 3
O2b'U133 O2b' U13 3
O2b'U233 O2b' U23 3
O2b''U111 O2b'' U11 1
O2b''U221 O2b'' U22 1
O2b''U331 O2b'' U33 1
O2b''U121 O2b'' U12 1
O2b''U131 O2b'' U13 1
O2b''U231 O2b'' U23 1
O2b''U112 O2b'' U11 2
O2b''U222 O2b'' U22 2
O2b''U332 O2b'' U33 2
O2b''U122 O2b'' U12 2
O2b''U132 O2b'' U13 2
O2b''U232 O2b'' U23 2
O2b''U113 O2b'' U11 3
O2b''U223 O2b'' U22 3
O2b''U333 O2b'' U33 3
O2b''U123 O2b'' U12 3
O2b''U133 O2b'' U13 3
O2b''U233 O2b'' U23 3
O3bU111 O3b U11 1
O3bU221 O3b U22 1
O3bU331 O3b U33 1
O3bU121 O3b U12 1
O3bU131 O3b U13 1
O3bU231 O3b U23 1
O3bU112 O3b U11 2
O3bU222 O3b U22 2
O3bU332 O3b U33 2
O3bU122 O3b U12 2
O3bU132 O3b U13 2
O3bU232 O3b U23 2
O3bU113 O3b U11 3
O3bU223 O3b U22 3
O3bU333 O3b U33 3
O3bU123 O3b U12 3
O3bU133 O3b U13 3
O3bU233 O3b U23 3
O3b'U111 O3b' U11 1
O3b'U221 O3b' U22 1
O3b'U331 O3b' U33 1
O3b'U121 O3b' U12 1
O3b'U131 O3b' U13 1
O3b'U231 O3b' U23 1
O3b'U112 O3b' U11 2
O3b'U222 O3b' U22 2
O3b'U332 O3b' U33 2
O3b'U122 O3b' U12 2
O3b'U132 O3b' U13 2
O3b'U232 O3b' U23 2
O3b'U113 O3b' U11 3
O3b'U223 O3b' U22 3
O3b'U333 O3b' U33 3
O3b'U123 O3b' U12 3
O3b'U133 O3b' U13 3
O3b'U233 O3b' U23 3
O3b''U111 O3b'' U11 1
O3b''U221 O3b'' U22 1
O3b''U331 O3b'' U33 1
O3b''U121 O3b'' U12 1
O3b''U131 O3b'' U13 1
O3b''U231 O3b'' U23 1
O3b''U112 O3b'' U11 2
O3b''U222 O3b'' U22 2
O3b''U332 O3b'' U33 2
O3b''U122 O3b'' U12 2
O3b''U132 O3b'' U13 2
O3b''U232 O3b'' U23 2
O3b''U113 O3b'' U11 3
O3b''U223 O3b'' U22 3
O3b''U333 O3b'' U33 3
O3b''U123 O3b'' U12 3
O3b''U133 O3b'' U13 3
O3b''U233 O3b'' U23 3
N1bU111 N1b U11 1
N1bU221 N1b U22 1
N1bU331 N1b U33 1
N1bU121 N1b U12 1
N1bU131 N1b U13 1
N1bU231 N1b U23 1
N1bU112 N1b U11 2
N1bU222 N1b U22 2
N1bU332 N1b U33 2
N1bU122 N1b U12 2
N1bU132 N1b U13 2
N1bU232 N1b U23 2
N1bU113 N1b U11 3
N1bU223 N1b U22 3
N1bU333 N1b U33 3
N1bU123 N1b U12 3
N1bU133 N1b U13 3
N1bU233 N1b U23 3
N1b'U111 N1b' U11 1
N1b'U221 N1b' U22 1
N1b'U331 N1b' U33 1
N1b'U121 N1b' U12 1
N1b'U131 N1b' U13 1
N1b'U231 N1b' U23 1
N1b'U112 N1b' U11 2
N1b'U222 N1b' U22 2
N1b'U332 N1b' U33 2
N1b'U122 N1b' U12 2
N1b'U132 N1b' U13 2
N1b'U232 N1b' U23 2
N1b'U113 N1b' U11 3
N1b'U223 N1b' U22 3
N1b'U333 N1b' U33 3
N1b'U123 N1b' U12 3
N1b'U133 N1b' U13 3
N1b'U233 N1b' U23 3
N1b''U111 N1b'' U11 1
N1b''U221 N1b'' U22 1
N1b''U331 N1b'' U33 1
N1b''U121 N1b'' U12 1
N1b''U131 N1b'' U13 1
N1b''U231 N1b'' U23 1
N1b''U112 N1b'' U11 2
N1b''U222 N1b'' U22 2
N1b''U332 N1b'' U33 2
N1b''U122 N1b'' U12 2
N1b''U132 N1b'' U13 2
N1b''U232 N1b'' U23 2
N1b''U113 N1b'' U11 3
N1b''U223 N1b'' U22 3
N1b''U333 N1b'' U33 3
N1b''U123 N1b'' U12 3
N1b''U133 N1b'' U13 3
N1b''U233 N1b'' U23 3
C7bU111 C7b U11 1
C7bU221 C7b U22 1
C7bU331 C7b U33 1
C7bU121 C7b U12 1
C7bU131 C7b U13 1
C7bU231 C7b U23 1
C7bU112 C7b U11 2
C7bU222 C7b U22 2
C7bU332 C7b U33 2
C7bU122 C7b U12 2
C7bU132 C7b U13 2
C7bU232 C7b U23 2
C7bU113 C7b U11 3
C7bU223 C7b U22 3
C7bU333 C7b U33 3
C7bU123 C7b U12 3
C7bU133 C7b U13 3
C7bU233 C7b U23 3
C7b'U111 C7b' U11 1
C7b'U221 C7b' U22 1
C7b'U331 C7b' U33 1
C7b'U121 C7b' U12 1
C7b'U131 C7b' U13 1
C7b'U231 C7b' U23 1
C7b'U112 C7b' U11 2
C7b'U222 C7b' U22 2
C7b'U332 C7b' U33 2
C7b'U122 C7b' U12 2
C7b'U132 C7b' U13 2
C7b'U232 C7b' U23 2
C7b'U113 C7b' U11 3
C7b'U223 C7b' U22 3
C7b'U333 C7b' U33 3
C7b'U123 C7b' U12 3
C7b'U133 C7b' U13 3
C7b'U233 C7b' U23 3
C7b''U111 C7b'' U11 1
C7b''U221 C7b'' U22 1
C7b''U331 C7b'' U33 1
C7b''U121 C7b'' U12 1
C7b''U131 C7b'' U13 1
C7b''U231 C7b'' U23 1
C7b''U112 C7b'' U11 2
C7b''U222 C7b'' U22 2
C7b''U332 C7b'' U33 2
C7b''U122 C7b'' U12 2
C7b''U132 C7b'' U13 2
C7b''U232 C7b'' U23 2
C7b''U113 C7b'' U11 3
C7b''U223 C7b'' U22 3
C7b''U333 C7b'' U33 3
C7b''U123 C7b'' U12 3
C7b''U133 C7b'' U13 3
C7b''U233 C7b'' U23 3
O28wU111 O28w U11 1
O28wU221 O28w U22 1
O28wU331 O28w U33 1
O28wU121 O28w U12 1
O28wU131 O28w U13 1
O28wU231 O28w U23 1
O28wU112 O28w U11 2
O28wU222 O28w U22 2
O28wU332 O28w U33 2
O28wU122 O28w U12 2
O28wU132 O28w U13 2
O28wU232 O28w U23 2
O28wU113 O28w U11 3
O28wU223 O28w U22 3
O28wU333 O28w U33 3
O28wU123 O28w U12 3
O28wU133 O28w U13 3
O28wU233 O28w U23 3
O18wU111 O18w U11 1
O18wU221 O18w U22 1
O18wU331 O18w U33 1
O18wU121 O18w U12 1
O18wU131 O18w U13 1
O18wU231 O18w U23 1
O18wU112 O18w U11 2
O18wU222 O18w U22 2
O18wU332 O18w U33 2
O18wU122 O18w U12 2
O18wU132 O18w U13 2
O18wU232 O18w U23 2
O18wU113 O18w U11 3
O18wU223 O18w U22 3
O18wU333 O18w U33 3
O18wU123 O18w U12 3
O18wU133 O18w U13 3
O18wU233 O18w U23 3
O24wU111 O24w U11 1
O24wU221 O24w U22 1
O24wU331 O24w U33 1
O24wU121 O24w U12 1
O24wU131 O24w U13 1
O24wU231 O24w U23 1
O24wU112 O24w U11 2
O24wU222 O24w U22 2
O24wU332 O24w U33 2
O24wU122 O24w U12 2
O24wU132 O24w U13 2
O24wU232 O24w U23 2
O24wU113 O24w U11 3
O24wU223 O24w U22 3
O24wU333 O24w U33 3
O24wU123 O24w U12 3
O24wU133 O24w U13 3
O24wU233 O24w U23 3
O23wU111 O23w U11 1
O23wU221 O23w U22 1
O23wU331 O23w U33 1
O23wU121 O23w U12 1
O23wU131 O23w U13 1
O23wU231 O23w U23 1
O23wU112 O23w U11 2
O23wU222 O23w U22 2
O23wU332 O23w U33 2
O23wU122 O23w U12 2
O23wU132 O23w U13 2
O23wU232 O23w U23 2
O23wU113 O23w U11 3
O23wU223 O23w U22 3
O23wU333 O23w U33 3
O23wU123 O23w U12 3
O23wU133 O23w U13 3
O23wU233 O23w U23 3
Na6U111 Na6 U11 1
Na6U221 Na6 U22 1
Na6U331 Na6 U33 1
Na6U121 Na6 U12 1
Na6U131 Na6 U13 1
Na6U231 Na6 U23 1
Na6U112 Na6 U11 2
Na6U222 Na6 U22 2
Na6U332 Na6 U33 2
Na6U122 Na6 U12 2
Na6U132 Na6 U13 2
Na6U232 Na6 U23 2
Na6U113 Na6 U11 3
Na6U223 Na6 U22 3
Na6U333 Na6 U33 3
Na6U123 Na6 U12 3
Na6U133 Na6 U13 3
Na6U233 Na6 U23 3
Na2U111 Na2 U11 1
Na2U221 Na2 U22 1
Na2U331 Na2 U33 1
Na2U121 Na2 U12 1
Na2U131 Na2 U13 1
Na2U231 Na2 U23 1
Na2U112 Na2 U11 2
Na2U222 Na2 U22 2
Na2U332 Na2 U33 2
Na2U122 Na2 U12 2
Na2U132 Na2 U13 2
Na2U232 Na2 U23 2
C1aU111 C1a U11 1
C1aU221 C1a U22 1
C1aU331 C1a U33 1
C1aU121 C1a U12 1
C1aU131 C1a U13 1
C1aU231 C1a U23 1
C1aU112 C1a U11 2
C1aU222 C1a U22 2
C1aU332 C1a U33 2
C1aU122 C1a U12 2
C1aU132 C1a U13 2
C1aU232 C1a U23 2
C1aU113 C1a U11 3
C1aU223 C1a U22 3
C1aU333 C1a U33 3
C1aU123 C1a U12 3
C1aU133 C1a U13 3
C1aU233 C1a U23 3
C2aU111 C2a U11 1
C2aU221 C2a U22 1
C2aU331 C2a U33 1
C2aU121 C2a U12 1
C2aU131 C2a U13 1
C2aU231 C2a U23 1
C2aU112 C2a U11 2
C2aU222 C2a U22 2
C2aU332 C2a U33 2
C2aU122 C2a U12 2
C2aU132 C2a U13 2
C2aU232 C2a U23 2
C2aU113 C2a U11 3
C2aU223 C2a U22 3
C2aU333 C2a U33 3
C2aU123 C2a U12 3
C2aU133 C2a U13 3
C2aU233 C2a U23 3
C3aU111 C3a U11 1
C3aU221 C3a U22 1
C3aU331 C3a U33 1
C3aU121 C3a U12 1
C3aU131 C3a U13 1
C3aU231 C3a U23 1
C3aU112 C3a U11 2
C3aU222 C3a U22 2
C3aU332 C3a U33 2
C3aU122 C3a U12 2
C3aU132 C3a U13 2
C3aU232 C3a U23 2
C3aU113 C3a U11 3
C3aU223 C3a U22 3
C3aU333 C3a U33 3
C3aU123 C3a U12 3
C3aU133 C3a U13 3
C3aU233 C3a U23 3
C4aU111 C4a U11 1
C4aU221 C4a U22 1
C4aU331 C4a U33 1
C4aU121 C4a U12 1
C4aU131 C4a U13 1
C4aU231 C4a U23 1
C4aU112 C4a U11 2
C4aU222 C4a U22 2
C4aU332 C4a U33 2
C4aU122 C4a U12 2
C4aU132 C4a U13 2
C4aU232 C4a U23 2
C4aU113 C4a U11 3
C4aU223 C4a U22 3
C4aU333 C4a U33 3
C4aU123 C4a U12 3
C4aU133 C4a U13 3
C4aU233 C4a U23 3
C5aU111 C5a U11 1
C5aU221 C5a U22 1
C5aU331 C5a U33 1
C5aU121 C5a U12 1
C5aU131 C5a U13 1
C5aU231 C5a U23 1
C5aU112 C5a U11 2
C5aU222 C5a U22 2
C5aU332 C5a U33 2
C5aU122 C5a U12 2
C5aU132 C5a U13 2
C5aU232 C5a U23 2
C5aU113 C5a U11 3
C5aU223 C5a U22 3
C5aU333 C5a U33 3
C5aU123 C5a U12 3
C5aU133 C5a U13 3
C5aU233 C5a U23 3
C6aU111 C6a U11 1
C6aU221 C6a U22 1
C6aU331 C6a U33 1
C6aU121 C6a U12 1
C6aU131 C6a U13 1
C6aU231 C6a U23 1
C6aU112 C6a U11 2
C6aU222 C6a U22 2
C6aU332 C6a U33 2
C6aU122 C6a U12 2
C6aU132 C6a U13 2
C6aU232 C6a U23 2
C6aU113 C6a U11 3
C6aU223 C6a U22 3
C6aU333 C6a U33 3
C6aU123 C6a U12 3
C6aU133 C6a U13 3
C6aU233 C6a U23 3
H1c3aU111 H1c3a U11 1
H1c3aU221 H1c3a U22 1
H1c3aU331 H1c3a U33 1
H1c3aU121 H1c3a U12 1
H1c3aU131 H1c3a U13 1
H1c3aU231 H1c3a U23 1
H1c3aU112 H1c3a U11 2
H1c3aU222 H1c3a U22 2
H1c3aU332 H1c3a U33 2
H1c3aU122 H1c3a U12 2
H1c3aU132 H1c3a U13 2
H1c3aU232 H1c3a U23 2
H1c3aU113 H1c3a U11 3
H1c3aU223 H1c3a U22 3
H1c3aU333 H1c3a U33 3
H1c3aU123 H1c3a U12 3
H1c3aU133 H1c3a U13 3
H1c3aU233 H1c3a U23 3
H1c4aU111 H1c4a U11 1
H1c4aU221 H1c4a U22 1
H1c4aU331 H1c4a U33 1
H1c4aU121 H1c4a U12 1
H1c4aU131 H1c4a U13 1
H1c4aU231 H1c4a U23 1
H1c4aU112 H1c4a U11 2
H1c4aU222 H1c4a U22 2
H1c4aU332 H1c4a U33 2
H1c4aU122 H1c4a U12 2
H1c4aU132 H1c4a U13 2
H1c4aU232 H1c4a U23 2
H1c4aU113 H1c4a U11 3
H1c4aU223 H1c4a U22 3
H1c4aU333 H1c4a U33 3
H1c4aU123 H1c4a U12 3
H1c4aU133 H1c4a U13 3
H1c4aU233 H1c4a U23 3
H1c5aU111 H1c5a U11 1
H1c5aU221 H1c5a U22 1
H1c5aU331 H1c5a U33 1
H1c5aU121 H1c5a U12 1
H1c5aU131 H1c5a U13 1
H1c5aU231 H1c5a U23 1
H1c5aU112 H1c5a U11 2
H1c5aU222 H1c5a U22 2
H1c5aU332 H1c5a U33 2
H1c5aU122 H1c5a U12 2
H1c5aU132 H1c5a U13 2
H1c5aU232 H1c5a U23 2
H1c5aU113 H1c5a U11 3
H1c5aU223 H1c5a U22 3
H1c5aU333 H1c5a U33 3
H1c5aU123 H1c5a U12 3
H1c5aU133 H1c5a U13 3
H1c5aU233 H1c5a U23 3
H1c6aU111 H1c6a U11 1
H1c6aU221 H1c6a U22 1
H1c6aU331 H1c6a U33 1
H1c6aU121 H1c6a U12 1
H1c6aU131 H1c6a U13 1
H1c6aU231 H1c6a U23 1
H1c6aU112 H1c6a U11 2
H1c6aU222 H1c6a U22 2
H1c6aU332 H1c6a U33 2
H1c6aU122 H1c6a U12 2
H1c6aU132 H1c6a U13 2
H1c6aU232 H1c6a U23 2
H1c6aU113 H1c6a U11 3
H1c6aU223 H1c6a U22 3
H1c6aU333 H1c6a U33 3
H1c6aU123 H1c6a U12 3
H1c6aU133 H1c6a U13 3
H1c6aU233 H1c6a U23 3
C1bU111 C1b U11 1
C1bU221 C1b U22 1
C1bU331 C1b U33 1
C1bU121 C1b U12 1
C1bU131 C1b U13 1
C1bU231 C1b U23 1
C1bU112 C1b U11 2
C1bU222 C1b U22 2
C1bU332 C1b U33 2
C1bU122 C1b U12 2
C1bU132 C1b U13 2
C1bU232 C1b U23 2
C1bU113 C1b U11 3
C1bU223 C1b U22 3
C1bU333 C1b U33 3
C1bU123 C1b U12 3
C1bU133 C1b U13 3
C1bU233 C1b U23 3
C2bU111 C2b U11 1
C2bU221 C2b U22 1
C2bU331 C2b U33 1
C2bU121 C2b U12 1
C2bU131 C2b U13 1
C2bU231 C2b U23 1
C2bU112 C2b U11 2
C2bU222 C2b U22 2
C2bU332 C2b U33 2
C2bU122 C2b U12 2
C2bU132 C2b U13 2
C2bU232 C2b U23 2
C2bU113 C2b U11 3
C2bU223 C2b U22 3
C2bU333 C2b U33 3
C2bU123 C2b U12 3
C2bU133 C2b U13 3
C2bU233 C2b U23 3
C3bU111 C3b U11 1
C3bU221 C3b U22 1
C3bU331 C3b U33 1
C3bU121 C3b U12 1
C3bU131 C3b U13 1
C3bU231 C3b U23 1
C3bU112 C3b U11 2
C3bU222 C3b U22 2
C3bU332 C3b U33 2
C3bU122 C3b U12 2
C3bU132 C3b U13 2
C3bU232 C3b U23 2
C3bU113 C3b U11 3
C3bU223 C3b U22 3
C3bU333 C3b U33 3
C3bU123 C3b U12 3
C3bU133 C3b U13 3
C3bU233 C3b U23 3
C4bU111 C4b U11 1
C4bU221 C4b U22 1
C4bU331 C4b U33 1
C4bU121 C4b U12 1
C4bU131 C4b U13 1
C4bU231 C4b U23 1
C4bU112 C4b U11 2
C4bU222 C4b U22 2
C4bU332 C4b U33 2
C4bU122 C4b U12 2
C4bU132 C4b U13 2
C4bU232 C4b U23 2
C4bU113 C4b U11 3
C4bU223 C4b U22 3
C4bU333 C4b U33 3
C4bU123 C4b U12 3
C4bU133 C4b U13 3
C4bU233 C4b U23 3
C5bU111 C5b U11 1
C5bU221 C5b U22 1
C5bU331 C5b U33 1
C5bU121 C5b U12 1
C5bU131 C5b U13 1
C5bU231 C5b U23 1
C5bU112 C5b U11 2
C5bU222 C5b U22 2
C5bU332 C5b U33 2
C5bU122 C5b U12 2
C5bU132 C5b U13 2
C5bU232 C5b U23 2
C5bU113 C5b U11 3
C5bU223 C5b U22 3
C5bU333 C5b U33 3
C5bU123 C5b U12 3
C5bU133 C5b U13 3
C5bU233 C5b U23 3
C6bU111 C6b U11 1
C6bU221 C6b U22 1
C6bU331 C6b U33 1
C6bU121 C6b U12 1
C6bU131 C6b U13 1
C6bU231 C6b U23 1
C6bU112 C6b U11 2
C6bU222 C6b U22 2
C6bU332 C6b U33 2
C6bU122 C6b U12 2
C6bU132 C6b U13 2
C6bU232 C6b U23 2
C6bU113 C6b U11 3
C6bU223 C6b U22 3
C6bU333 C6b U33 3
C6bU123 C6b U12 3
C6bU133 C6b U13 3
C6bU233 C6b U23 3
H1c3bU111 H1c3b U11 1
H1c3bU221 H1c3b U22 1
H1c3bU331 H1c3b U33 1
H1c3bU121 H1c3b U12 1
H1c3bU131 H1c3b U13 1
H1c3bU231 H1c3b U23 1
H1c3bU112 H1c3b U11 2
H1c3bU222 H1c3b U22 2
H1c3bU332 H1c3b U33 2
H1c3bU122 H1c3b U12 2
H1c3bU132 H1c3b U13 2
H1c3bU232 H1c3b U23 2
H1c3bU113 H1c3b U11 3
H1c3bU223 H1c3b U22 3
H1c3bU333 H1c3b U33 3
H1c3bU123 H1c3b U12 3
H1c3bU133 H1c3b U13 3
H1c3bU233 H1c3b U23 3
H1c4bU111 H1c4b U11 1
H1c4bU221 H1c4b U22 1
H1c4bU331 H1c4b U33 1
H1c4bU121 H1c4b U12 1
H1c4bU131 H1c4b U13 1
H1c4bU231 H1c4b U23 1
H1c4bU112 H1c4b U11 2
H1c4bU222 H1c4b U22 2
H1c4bU332 H1c4b U33 2
H1c4bU122 H1c4b U12 2
H1c4bU132 H1c4b U13 2
H1c4bU232 H1c4b U23 2
H1c4bU113 H1c4b U11 3
H1c4bU223 H1c4b U22 3
H1c4bU333 H1c4b U33 3
H1c4bU123 H1c4b U12 3
H1c4bU133 H1c4b U13 3
H1c4bU233 H1c4b U23 3
H1c5bU111 H1c5b U11 1
H1c5bU221 H1c5b U22 1
H1c5bU331 H1c5b U33 1
H1c5bU121 H1c5b U12 1
H1c5bU131 H1c5b U13 1
H1c5bU231 H1c5b U23 1
H1c5bU112 H1c5b U11 2
H1c5bU222 H1c5b U22 2
H1c5bU332 H1c5b U33 2
H1c5bU122 H1c5b U12 2
H1c5bU132 H1c5b U13 2
H1c5bU232 H1c5b U23 2
H1c5bU113 H1c5b U11 3
H1c5bU223 H1c5b U22 3
H1c5bU333 H1c5b U33 3
H1c5bU123 H1c5b U12 3
H1c5bU133 H1c5b U13 3
H1c5bU233 H1c5b U23 3
H1c6bU111 H1c6b U11 1
H1c6bU221 H1c6b U22 1
H1c6bU331 H1c6b U33 1
H1c6bU121 H1c6b U12 1
H1c6bU131 H1c6b U13 1
H1c6bU231 H1c6b U23 1
H1c6bU112 H1c6b U11 2
H1c6bU222 H1c6b U22 2
H1c6bU332 H1c6b U33 2
H1c6bU122 H1c6b U12 2
H1c6bU132 H1c6b U13 2
H1c6bU232 H1c6b U23 2
H1c6bU113 H1c6b U11 3
H1c6bU223 H1c6b U22 3
H1c6bU333 H1c6b U33 3
H1c6bU123 H1c6b U12 3
H1c6bU133 H1c6b U13 3
H1c6bU233 H1c6b U23 3

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
S1aU111 -0.00140(15) 0.00136(14)
S1aU221 0.0040(2) 0.0080(2)
S1aU331 -0.00108(18) 0.00039(16)
S1aU121 0.00102(13) 0.00016(13)
S1aU131 -0.00093(13) 0.00328(12)
S1aU231 0.00011(14) -0.00187(15)
S1aU112 -0.00115(13) -0.00146(14)
S1aU222 -0.0033(2) 0.0050(2)
S1aU332 -0.00194(16) -0.00222(18)
S1aU122 0.00025(13) -0.00197(13)
S1aU132 -0.00004(11) -0.00152(13)
S1aU232 0.00088(15) -0.00271(14)
S1aU113 -0.00085(14) -0.00073(13)
S1aU223 -0.0029(2) -0.0012(2)
S1aU333 0.00270(19) -0.00231(17)
S1aU123 0.00186(13) 0.00101(13)
S1aU133 0.00175(13) -0.00135(11)
S1aU233 0.00259(15) 0.00159(15)
S1aU114 0 0.00124(11)
S1aU224 0 0.00086(17)
S1aU334 0 0.00209(15)
S1aU124 0 0.00026(10)
S1aU134 0 0.00160(10)
S1aU234 0 0.00039(12)
O1aU111 -0.0004(5) -0.0003(5)
O1aU221 -0.0039(7) 0.0136(7)
O1aU331 -0.0002(6) -0.0010(6)
O1aU121 -0.0007(4) 0.0041(5)
O1aU131 0.0000(4) 0.0015(4)
O1aU231 0.0017(5) -0.0023(5)
O1aU112 -0.0011(5) -0.0016(5)
O1aU222 -0.0094(7) -0.0040(7)
O1aU332 0.0022(6) -0.0031(6)
O1aU122 -0.0031(4) -0.0015(4)
O1aU132 0.0033(4) 0.0005(4)
O1aU232 0.0042(5) 0.0026(5)
O1aU113 0.0014(5) 0.0007(5)
O1aU223 0.0068(7) -0.0044(7)
O1aU333 0.0004(6) 0.0053(6)
O1aU123 0.0018(5) -0.0006(4)
O1aU133 -0.0026(4) 0.0038(4)
O1aU233 -0.0057(5) 0.0022(5)
O1aU114 0 0.0001(4)
O1aU224 0 -0.0020(6)
O1aU334 0 -0.0018(5)
O1aU124 0 -0.0007(3)
O1aU134 0 -0.0018(3)
O1aU234 0 -0.0013(4)
O2aU111 0.0015(5) 0.0021(5)
O2aU221 0.0105(7) 0.0048(7)
O2aU331 0.0015(6) 0.0031(6)
O2aU121 -0.0062(5) -0.0005(5)
O2aU131 0.0009(4) 0.0050(4)
O2aU231 -0.0044(5) -0.0001(5)
O2aU112 0.0013(5) 0.0037(5)
O2aU222 0.0090(7) 0.0057(7)
O2aU332 -0.0029(6) 0.0012(6)
O2aU122 -0.0076(5) -0.0031(5)
O2aU132 0.0002(4) 0.0009(4)
O2aU232 -0.0056(5) 0.0005(5)
O2aU113 0.0013(5) 0.0063(5)
O2aU223 0.0025(7) 0.0075(7)
O2aU333 -0.0043(6) -0.0018(6)
O2aU123 -0.0027(5) -0.0072(5)
O2aU133 -0.0024(4) 0.0004(4)
O2aU233 -0.0011(5) -0.0027(5)
O2aU114 0 -0.0025(4)
O2aU224 0 0.0012(5)
O2aU334 0 -0.0030(5)
O2aU124 0 -0.0004(4)
O2aU134 0 -0.0024(3)
O2aU234 0 0.0001(4)
O3aU111 0.0019(5) -0.0037(5)
O3aU221 0.0023(7) 0.0171(7)
O3aU331 0.0009(5) 0.0007(5)
O3aU121 0.0077(4) 0.0006(4)
O3aU131 0.0007(4) 0.0034(4)
O3aU231 0.0052(4) 0.0001(5)
O3aU112 -0.0068(5) 0.0047(5)
O3aU222 -0.0030(7) -0.0013(7)
O3aU332 -0.0024(5) 0.0000(5)
O3aU122 0.0011(4) -0.0010(4)
O3aU132 -0.0018(4) 0.0011(4)
O3aU232 0.0016(5) -0.0012(5)
O3aU113 0.0008(5) 0.0019(4)
O3aU223 0.0011(7) 0.0003(7)
O3aU333 0.0008(6) -0.0018(5)
O3aU123 -0.0002(4) 0.0009(4)
O3aU133 0.0011(4) -0.0005(4)
O3aU233 -0.0003(5) 0.0016(5)
O3aU114 0 0.0009(3)
O3aU224 0 -0.0008(5)
O3aU334 0 0.0017(4)
O3aU124 0 -0.0007(3)
O3aU134 0 0.0001(3)
O3aU234 0 -0.0011(3)
N1aU111 0.0002(5) -0.0011(5)
N1aU221 0.0053(7) 0.0058(7)
N1aU331 -0.0020(6) 0.0006(5)
N1aU121 0.0057(5) 0.0009(5)
N1aU131 -0.0005(4) 0.0033(4)
N1aU231 0.0020(5) -0.0012(5)
N1aU112 -0.0032(5) 0.0002(5)
N1aU222 -0.0009(8) 0.0042(7)
N1aU332 -0.0016(5) -0.0005(6)
N1aU122 0.0005(5) -0.0015(5)
N1aU132 0.0007(4) -0.0006(4)
N1aU232 0.0006(5) -0.0030(5)
N1aU113 -0.0017(5) -0.0008(5)
N1aU223 -0.0008(7) -0.0011(8)
N1aU333 0.0010(6) -0.0034(6)
N1aU123 0.0011(5) 0.0004(5)
N1aU133 0.0005(4) -0.0020(4)
N1aU233 0.0011(5) 0.0027(5)
N1aU114 0 0.0008(4)
N1aU224 0 0.0017(5)
N1aU334 0 0.0019(4)
N1aU124 0 -0.0005(3)
N1aU134 0 0.0007(3)
N1aU234 0 -0.0012(4)
C7aU111 0.0017(6) -0.0023(6)
C7aU221 0.0020(7) 0.0055(7)
C7aU331 0.0002(7) 0.0019(6)
C7aU121 0.0043(5) 0.0026(5)
C7aU131 0.0011(5) 0.0019(5)
C7aU231 0.0026(5) 0.0014(5)
C7aU112 -0.0034(6) 0.0020(6)
C7aU222 0.0012(8) -0.0004(8)
C7aU332 -0.0022(7) -0.0005(7)
C7aU122 0.0021(5) -0.0017(5)
C7aU132 -0.0016(5) 0.0009(5)
C7aU232 0.0002(6) -0.0002(6)
C7aU113 -0.0014(6) 0.0023(6)
C7aU223 0.0006(8) -0.0014(8)
C7aU333 0.0017(8) -0.0028(7)
C7aU123 0.0005(5) 0.0001(5)
C7aU133 -0.0001(5) -0.0001(5)
C7aU233 0.0003(6) 0.0010(6)
C7aU114 0 0.0004(5)
C7aU224 0 0.0002(6)
C7aU334 0 0.0008(6)
C7aU124 0 0.0002(4)
C7aU134 0 0.0004(4)
C7aU234 0 0.0003(4)
S1bU111 0.00025(14) 0.0085(2)
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O23wU121 -0.0052(5) -0.0022(15)
O23wU131 -0.0002(5) 0.0004(15)
O23wU231 0.0023(6) -0.0051(17)
O23wU112 -0.0056(13) -0.0040(7)
O23wU222 0.0053(17) 0.0034(10)
O23wU332 0.0028(16) 0.0008(9)
O23wU122 -0.0003(11) -0.0038(7)
O23wU132 -0.0020(11) -0.0010(6)
O23wU232 0.0024(13) 0.0000(7)
O23wU113 0 0.0016(9)
O23wU223 0 0.0029(12)
O23wU333 0 0.0053(11)
O23wU123 0 0.0022(8)
O23wU133 0 0.0015(8)
O23wU233 0 0.0018(9)
Na6U111 -0.0018(3) 0.0067(9)
Na6U221 -0.0069(4) 0.0195(12)
Na6U331 -0.0001(4) 0.0021(12)
Na6U121 0.0013(3) 0.0084(8)
Na6U131 -0.0009(3) -0.0011(8)
Na6U231 -0.0025(3) -0.0057(9)
Na6U112 -0.0037(7) -0.0032(4)
Na6U222 -0.0082(9) -0.0029(5)
Na6U332 -0.0013(9) -0.0027(5)
Na6U122 -0.0061(6) -0.0008(3)
Na6U132 0.0018(6) -0.0014(3)
Na6U232 0.0031(7) -0.0010(4)
Na6U113 0 -0.0011(5)
Na6U223 0 -0.0030(6)
Na6U333 0 0.0024(6)
Na6U123 0 -0.0037(4)
Na6U133 0 0.0011(4)
Na6U233 0 0.0004(5)
Na2U111 0.0080(13) 0.0099(15)
Na2U221 0.033(2) 0.039(2)
Na2U331 0.0462(19) 0.020(2)
Na2U121 -0.0050(12) -0.0084(14)
Na2U131 -0.0022(12) -0.0066(13)
Na2U231 0.0313(15) 0.0145(17)
Na2U112 0.0002(4) 0.0069(10)
Na2U222 -0.0018(6) 0.0112(16)
Na2U332 0.0112(6) 0.0146(14)
Na2U122 0.0000(4) -0.0030(10)
Na2U132 0.0011(4) -0.0017(9)
Na2U232 0.0088(5) 0.0085(12)
C1aU111 -0.002326 0.001976
C1aU221 0.001044 0.001585
C1aU331 -0.000336 0.00053
C1aU121 -0.000239 0.000641
C1aU131 -0.000372 0.002605
C1aU231 0.001025 0.000368
C1aU112 -0.000787 -0.002826
C1aU222 -0.00084 -0.000659
C1aU332 -0.000167 -0.001811
C1aU122 0.000967 -0.001743
C1aU132 -0.000574 -0.000581
C1aU232 -0.000067 0.00047
C1aU113 0.000547 -0.00036
C1aU223 -0.000008 -0.000989
C1aU333 0.001104 -0.001152
C1aU123 0.000657 0.001263
C1aU133 0.001767 -0.000444
C1aU233 0.000808 0.001068
C2aU111 -0.000254 0.000286
C2aU221 0.000192 0.000979
C2aU331 0.001008 -0.001245
C2aU121 0.001006 0.001258
C2aU131 0.001316 0.000788
C2aU231 0.001339 0.001499
C2aU112 -0.002106 -0.001412
C2aU222 0.001537 0.000408
C2aU332 -0.002287 -0.001727
C2aU122 0.000789 -0.001571
C2aU132 -0.002447 -0.000057
C2aU232 -0.000744 -0.000541
C2aU113 -0.00048 -0.000209
C2aU223 0.000629 -0.000551
C2aU333 -0.000229 -0.000056
C2aU123 -0.000464 0.000424
C2aU133 0.000547 0.000288
C2aU233 0.000643 0.000281
C3aU111 -0.000382 0.000343
C3aU221 0.000425 -0.000876
C3aU331 0.003484 -0.00315
C3aU121 0.000615 0.001449
C3aU131 0.002598 0.000192
C3aU231 0.001199 0.001793
C3aU112 -0.001542 -0.002245
C3aU222 0.003471 0.002831
C3aU332 -0.005123 -0.003351
C3aU122 0.000241 0.000349
C3aU132 -0.002948 -0.000054
C3aU232 -0.002036 -0.001285
C3aU113 -0.000363 -0.000068
C3aU223 -0.001683 -0.000721
C3aU333 -0.001701 0.001524
C3aU123 -0.000354 -0.000971
C3aU133 0.00001 0.000548
C3aU233 0.000451 -0.000492
C4aU111 -0.002823 0.001596
C4aU221 0.003469 -0.002356
C4aU331 0.004508 -0.00277
C4aU121 -0.00181 0.001185
C4aU131 0.002106 0.001208
C4aU231 0.001744 0.000056
C4aU112 0.000698 -0.003609
C4aU222 0.003329 0.001375
C4aU332 -0.004693 -0.005803
C4aU122 0.001024 0.001219
C4aU132 -0.001637 0.000277
C4aU232 -0.004033 0.000143
C4aU113 0.000791 0.000636
C4aU223 -0.002302 -0.00305
C4aU333 -0.00268 0.001509
C4aU123 0.000384 -0.000612
C4aU133 0.000148 -0.000233
C4aU233 0.000904 -0.001188
C5aU111 -0.005143 0.002744
C5aU221 0.004614 -0.001219
C5aU331 0.003046 -0.001466
C5aU121 -0.004208 0.001173
C5aU131 0.00027 0.002448
C5aU231 0.001502 -0.001098
C5aU112 0.002127 -0.004344
C5aU222 0.002905 -0.001773
C5aU332 -0.002775 -0.00471
C5aU122 0.003329 -0.00013
C5aU132 -0.000177 0.000917
C5aU232 -0.002836 0.001248
C5aU113 0.002435 0.001973
C5aU223 0.000767 -0.001829
C5aU333 -0.001629 0.0005
C5aU123 -0.000334 0.001207
C5aU133 0.001571 -0.000314
C5aU233 0.000036 -0.000889
C6aU111 -0.004894 0.003262
C6aU221 0.002514 0.000889
C6aU331 0.000553 0.000002
C6aU121 -0.003001 0.000957
C6aU131 -0.001063 0.003316
C6aU231 0.000609 -0.000564
C6aU112 0.001328 -0.004396
C6aU222 -0.000103 -0.001875
C6aU332 -0.000855 -0.002274
C6aU122 0.002459 -0.001738
C6aU132 0.000653 0.000139
C6aU232 -0.000034 0.000807
C6aU113 0.002702 0.00086
C6aU223 0.001087 -0.00107
C6aU333 0.000687 -0.000409
C6aU123 0.00036 0.002238
C6aU133 0.002746 -0.00024
C6aU233 -0.000437 0.000875
H1c3aU111 0.001096 -0.000639
H1c3aU221 0.001107 0.001265
H1c3aU331 0.004459 -0.004248
H1c3aU121 0.001208 0.001883
H1c3aU131 0.003808 -0.000883
H1c3aU231 0.000922 0.002753
H1c3aU112 -0.002617 -0.001542
H1c3aU222 -0.002377 0.004252
H1c3aU332 -0.006812 -0.003569
H1c3aU122 0.000473 0.000329
H1c3aU132 -0.004371 -0.000032
H1c3aU232 -0.001913 -0.002528
H1c3aU113 -0.000685 0.000109
H1c3aU223 -0.004037 0.005041
H1c3aU333 -0.001953 0.002512
H1c3aU123 -0.000603 -0.002007
H1c3aU133 -0.000278 0.001211
H1c3aU233 0.00087 -0.001214
H1c4aU111 -0.002977 0.001469
H1c4aU221 0.006793 -0.001139
H1c4aU331 0.00617 -0.003097
H1c4aU121 -0.002697 0.00102
H1c4aU131 0.00306 0.001017
H1c4aU231 0.002527 -0.00064
H1c4aU112 0.001242 -0.003751
H1c4aU222 -0.002464 -0.001637
H1c4aU332 -0.005062 -0.008684
H1c4aU122 0.001412 0.002602
H1c4aU132 -0.002047 0.000305
H1c4aU232 -0.006729 0.000251
H1c4aU113 0.000615 0.001041
H1c4aU223 -0.00831 -0.002709
H1c4aU333 -0.00411 0.002291
H1c4aU123 0.001377 -0.001359
H1c4aU133 -0.000453 -0.000671
H1c4aU233 0.002884 -0.001927
H1c5aU111 -0.006993 0.003055
H1c5aU221 0.008682 0.001251
H1c5aU331 0.003692 -0.001153
H1c5aU121 -0.007581 0.001055
H1c5aU131 -0.000046 0.002784
H1c5aU231 0.002194 -0.002588
H1c5aU112 0.003636 -0.004668
H1c5aU222 -0.000806 -0.008068
H1c5aU332 -0.002104 -0.006236
H1c5aU122 0.006937 0.000675
H1c5aU132 -0.000109 0.001886
H1c5aU232 -0.004516 0.002324
H1c5aU113 0.00298 0.004533
H1c5aU223 -0.002446 0.001303
H1c5aU333 -0.002378 0.000369
H1c5aU123 -0.001173 0.001445
H1c5aU133 0.001991 -0.000413
H1c5aU233 0.001187 -0.001939
H1c6aU111 -0.006496 0.004281
H1c6aU221 0.004365 0.004365
H1c6aU331 -0.000498 0.00107
H1c6aU121 -0.004888 0.000994
H1c6aU131 -0.002367 0.004384
H1c6aU231 -0.000085 -0.001255
H1c6aU112 0.002214 -0.005185
H1c6aU222 -0.008292 -0.004939
H1c6aU332 0.000383 -0.001771
H1c6aU122 0.004323 -0.003021
H1c6aU132 0.001699 0.000249
H1c6aU232 0.00156 0.001151
H1c6aU113 0.004346 0.001832
H1c6aU223 -0.000787 0.003885
H1c6aU333 0.002004 -0.000634
H1c6aU123 0.000603 0.003426
H1c6aU133 0.004234 0.000023
H1c6aU233 -0.000567 0.001157
C1bU111 0.001688 -0.000349
C1bU221 0.000352 0.000288
C1bU331 0.000254 0.011261
C1bU121 -0.000395 0.000357
C1bU131 0.000468 0.002791
C1bU231 -0.001763 -0.001833
C1bU112 -0.000176 0.000551
C1bU222 -0.001725 -0.000688
C1bU332 -0.008182 0.000332
C1bU122 -0.001034 -0.001297
C1bU132 0.000274 0.00065
C1bU232 -0.000269 0.000498
C1bU113 0.001106 -0.000898
C1bU223 -0.000755 0.000678
C1bU333 0.002095 -0.004357
C1bU123 0.001821 -0.000939
C1bU133 -0.001101 -0.000471
C1bU233 0.000106 -0.000984
C2bU111 0.001489 -0.000391
C2bU221 -0.000844 0.003544
C2bU331 0.0053 0.006616
C2bU121 -0.000064 0.000657
C2bU131 0.002275 0.002621
C2bU231 -0.001168 -0.001325
C2bU112 -0.000239 0.00075
C2bU222 -0.005549 -0.001023
C2bU332 -0.004246 0.003283
C2bU122 -0.001173 -0.001042
C2bU132 0.001376 -0.000669
C2bU232 -0.000875 0.001036
C2bU113 0.000569 -0.00125
C2bU223 -0.001029 -0.001412
C2bU333 -0.000989 -0.003312
C2bU123 0.000817 -0.001307
C2bU133 0.000695 0.000913
C2bU233 -0.000564 -0.001841
C3bU111 0.004558 0.00282
C3bU221 -0.001159 0.004723
C3bU331 0.008589 0.009464
C3bU121 -0.003832 0.001735
C3bU131 0.005366 0.005722
C3bU231 -0.001159 -0.001507
C3bU112 -0.000058 0.00021
C3bU222 -0.005354 -0.003013
C3bU332 -0.005806 0.006558
C3bU122 -0.002843 -0.002771
C3bU132 0.000943 0.0018
C3bU232 -0.003017 0.00135
C3bU113 0.002831 0.000762
C3bU223 0.00112 -0.002805
C3bU333 -0.00234 -0.004262
C3bU123 0.002258 -0.00112
C3bU133 -0.000416 0.001153
C3bU233 0.001953 -0.00167
C4bU111 0.007578 0.01534
C4bU221 -0.000392 0.002275
C4bU331 0.005342 0.008508
C4bU121 -0.006037 0.003175
C4bU131 0.005909 0.00676
C4bU231 0.000917 -0.000645
C4bU112 -0.004724 0.002044
C4bU222 -0.000117 -0.005759
C4bU332 -0.006273 0.00272
C4bU122 -0.00411 -0.005171
C4bU132 -0.000388 0.00402
C4bU232 -0.003428 0.00215
C4bU113 0.002566 0.001671
C4bU223 0.002685 0.001566
C4bU333 0.000593 -0.003673
C4bU123 0.003376 0.000947
C4bU133 -0.002446 -0.000574
C4bU233 0.000797 -0.001422
C5bU111 0.007176 0.016983
C5bU221 0.005737 0.002196
C5bU331 -0.000659 0.009682
C5bU121 -0.00326 0.00504
C5bU131 0.00432 -0.001802
C5bU231 0.000654 -0.001435
C5bU112 -0.00539 0.001869
C5bU222 -0.001535 -0.001905
C5bU332 -0.007077 -0.001853
C5bU122 -0.003671 -0.003399
C5bU132 0.00341 0.003061
C5bU232 -0.002409 0.002825
C5bU113 0.002036 0.001682
C5bU223 0.000827 0.000524
C5bU333 0.003562 -0.002529
C5bU123 0.001213 -0.001118
C5bU133 -0.002813 -0.000414
C5bU233 -0.000034 -0.00262
C6bU111 0.004949 0.004554
C6bU221 0.006531 0.000761
C6bU331 -0.003509 0.015609
C6bU121 -0.001045 0.002897
C6bU131 0.000996 -0.002783
C6bU231 -0.002006 -0.003094
C6bU112 -0.00034 0.000563
C6bU222 -0.002128 0.001811
C6bU332 -0.011246 -0.002223
C6bU122 -0.001838 -0.001242
C6bU132 0.003115 0.001165
C6bU232 -0.000847 0.001155
C6bU113 0.002219 0.001664
C6bU223 -0.000905 -0.000757
C6bU333 0.004604 -0.004221
C6bU123 0.000592 -0.001821
C6bU133 -0.002024 -0.000469
C6bU233 0.000965 -0.000774
H1c3bU111 0.004393 0.002299
H1c3bU221 -0.002052 -0.001293
H1c3bU331 0.013722 0.015788
H1c3bU121 -0.004579 0.00114
H1c3bU131 0.007044 0.007702
H1c3bU231 -0.004312 -0.004011
H1c3bU112 0.000048 0.000045
H1c3bU222 0.011542 -0.019079
H1c3bU332 -0.007916 0.01277
H1c3bU122 -0.002217 -0.003964
H1c3bU132 0.000677 0.001778
H1c3bU232 -0.002222 -0.00277
H1c3bU113 0.002948 0.000455
H1c3bU223 0.006584 0.015008
H1c3bU333 -0.005809 -0.005204
H1c3bU123 0.003021 -0.000145
H1c3bU133 0.00074 0.001763
H1c3bU233 0.007375 0.001497
H1c4bU111 0.008301 0.028276
H1c4bU221 -0.001666 -0.00758
H1c4bU331 0.007103 0.011336
H1c4bU121 -0.009061 0.002797
H1c4bU131 0.007326 0.013455
H1c4bU231 0.001081 -0.001877
H1c4bU112 -0.011084 0.003003
H1c4bU222 0.030856 -0.015098
H1c4bU332 -0.008081 0.003929
H1c4bU122 -0.003797 -0.009098
H1c4bU132 -0.004345 0.005707
H1c4bU232 -0.000892 -0.000155
H1c4bU113 0.002454 0.000617
H1c4bU223 -0.006359 0.025353
H1c4bU333 0.000162 -0.004235
H1c4bU123 0.004413 0.005832
H1c4bU133 -0.002852 -0.002182
H1c4bU233 0.000665 0.003923
H1c5bU111 0.006369 0.031821
H1c5bU221 0.011877 -0.004781
H1c5bU331 -0.003238 0.011085
H1c5bU121 -0.002987 0.007871
H1c5bU131 0.006257 -0.006148
H1c5bU231 0.001076 -0.003292
H1c5bU112 -0.012768 0.001548
H1c5bU222 0.025058 -0.003244
H1c5bU332 -0.007311 -0.004036
H1c5bU122 -0.003476 -0.004722
H1c5bU132 0.005601 0.004571
H1c5bU232 0.000754 0.002644
H1c5bU113 0.002022 0.00009
H1c5bU223 -0.014231 0.017404
H1c5bU333 0.004533 -0.001225
H1c5bU123 -0.000083 -0.000672
H1c5bU133 -0.003789 -0.000659
H1c5bU233 -0.001443 -0.00035
H1c6bU111 0.005012 0.005136
H1c6bU221 0.012414 -0.007474
H1c6bU331 -0.008513 0.026195
H1c6bU121 0.000184 0.003122
H1c6bU131 -0.000175 -0.006596
H1c6bU231 -0.005041 -0.007345
H1c6bU112 -0.00039 0.000648
H1c6bU222 0.021327 -0.002265
H1c6bU332 -0.018122 -0.004132
H1c6bU122 -0.000289 -0.000887
H1c6bU132 0.004428 0.000904
H1c6bU232 0.003064 -0.002116
H1c6bU113 0.001894 0.001932
H1c6bU223 -0.008755 0.017801
H1c6bU333 0.006969 -0.005496
H1c6bU123 -0.000331 -0.001406
H1c6bU133 -0.002157 -0.000726
H1c6bU233 0.002642 0.005356

298K

Chemical data

Common Name: Sodium Saccharinate 1.875-Hydrate [ Help ]

Structural Formula Sum: C7 H4 N1 Na1 O4.875 S1 [ Help ]

Formula weight: 235.2 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: C2/c(0β0)s0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

Operation code Operation in algebraic form
1 x1,x2,x3,x4
2 -x1,x2+1/2,-x3+1/2,x4+1/2
3 -x1,-x2,-x3,-x4
4 x1,-x2+1/2,x3+1/2,-x4+1/2
5 x1+1/2,x2+1/2,x3,x4
6 -x1+1/2,x2,-x3+1/2,x4+1/2
7 -x1+1/2,-x2+1/2,-x3,-x4
8 x1+1/2,-x2,x3+1/2,-x4+1/2

a: 18.747 Å [ Help ]

b: 7.1519 Å [ Help ]

c: 29.1807 Å [ Help ]

α: 90 ° [ Help ]

β: 93.7723 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 3903.974 Å3 [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.000000 0.750000 0.000000

Z: 16 [ Help ]

Cell measurement temperature: 298 K [ Help ]

μ: 0.143 mm-1 [ Help ]

Absorption correction type: empirical [ Help ]

Absorption correction remarks: SADABS, Program for Empirical Absorption Correction of Area Detector Data, G. M. Sheldrick, 1996 [ Help ]

Refinement details

Total nb. of reflections: 53580 [ Help ]

Nb. of observed reflections: 26775 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(obs): 0.0539 [ Help ]

wR(obs): 0.0512 [ Help ]

R(all): 0.1347 [ Help ]

wR(all): 0.0563 [ Help ]

S(all): 1.95 [ Help ]

S(obs): 2.55 [ Help ]

Nb. of reflections: 53580 [ Help ]

Nb. of parameters: 1702 [ Help ]

Number of restraints: 0 [ Help ]

Number of constraints: 710 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ2(F)+0.0001F2) [ Help ]

Refinement of hydrogen atoms: constr [ Help ]

Δ/σ(max): 0.0176 [ Help ]

Δ/σ(mean): 0.0001 [ Help ]

Δρ(max): 0.86 e_Å-3 [ Help ]

Δρ(min): -0.91 e_Å-3 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom site label Atom symbol x y z ADP type Uiso/equiv Symmetry multiplicity Occupancy Coords from (d)iffraction or (c)alculated Coords restraints or constraints Disordered cluster Disordered group
S1a S -0.050499(9) 0.77533(3) 0.412271(7) Uani 0.03362(6) 8 1 d . . .
O1a O -0.09112(3) 0.94020(10) 0.42101(2) Uani 0.0509(2) 8 1 d . . .
O2a O -0.07978(3) 0.60599(9) 0.42973(2) Uani 0.0503(2) 8 1 d . . .
O3a O 0.05804(3) 0.75912(9) 0.313987(19) Uani 0.0450(2) 8 1 d . . .
N1a N -0.03632(3) 0.75770(10) 0.35905(2) Uani 0.0372(2) 8 1 d . . .
C7a C 0.03398(4) 0.76940(11) 0.35197(3) Uani 0.0324(2) 8 1 d . . .
S1b S -0.218745(13) 0.78452(4) 0.174229(10) Uani 0.03335(7) 8 0.875 d . . .
S1b' S -0.20232(9) 0.7017(2) 0.17554(6) Uani 0.03335(7) 8 0.06660(16) d . . .
S1b'' S -0.17869(9) 0.6855(3) 0.17675(7) Uani 0.03335(7) 8 0.05840(16) d . . .
O1b O -0.26084(4) 0.62353(12) 0.17709(3) Uani 0.0534(3) 8 0.875 d . . .
O1b' O -0.2212(4) 0.5100(14) 0.1794(4) Uani 0.0534(3) 8 0.06660(16) d . . .
O1b'' O -0.2020(2) 0.8218(5) 0.21072(15) Uani 0.0534(3) 8 0.05840(16) d . . .
O2b O -0.25228(4) 0.95139(12) 0.18675(3) Uani 0.0512(3) 8 0.875 d . . .
O2b' O -0.24745(19) 0.8289(5) 0.19727(13) Uani 0.0512(3) 8 0.06660(16) d . . .
O2b'' O -0.2145(4) 0.5045(16) 0.1799(4) Uani 0.0512(3) 8 0.05840(16) d . . .
O3b O -0.02874(4) 0.75140(12) 0.18836(3) Uani 0.0486(3) 8 0.875 d . . .
O3b' O -0.01340(16) 0.7991(6) 0.16101(16) Uani 0.0486(3) 8 0.06660(16) d . . .
O3b'' O -0.00186(19) 0.6989(7) 0.13361(18) Uani 0.0486(3) 8 0.05840(16) d . . .
N1b N -0.14470(5) 0.75827(13) 0.20283(3) Uani 0.0386(3) 8 0.875 d . . .
N1b' N -0.1200(2) 0.7254(7) 0.19187(16) Uani 0.0386(3) 8 0.06660(16) d . . .
N1b'' N -0.0933(3) 0.6660(8) 0.18134(19) Uani 0.0386(3) 8 0.05840(16) d . . .
C7b C -0.09127(5) 0.76572(15) 0.17507(4) Uani 0.0336(3) 8 0.875 d . . .
C7b' C -0.0800(2) 0.7719(8) 0.1579(2) Uani 0.0336(3) 8 0.06660(16) d . . .
C7b'' C -0.0656(3) 0.7112(9) 0.1411(2) Uani 0.0336(3) 8 0.05840(16) d . . .
O28w O 0.09637(5) 0.52546(15) 0.22141(4) Uani 0.0642(3) 8 0.9844 d . . .
O28w' O 0.09637(5) 0.52546(15) 0.22141(4) Uani 0.076(2) 8 0.0738(10) d . . .
O28w'' O 0.0924(4) 0.5495(11) 0.2120(3) Uani 0.076(2) 8 0.0668(10) d . . .
O18w O -0.09405(6) 0.50353(17) 0.27982(4) Uani 0.0600(12) 8 0.8438 d . . .
O18w' O -0.09405(6) 0.50353(17) 0.27982(4) Uani 0.0676(12) 8 0.0768(7) d . . .
O18w'' O -0.0480(3) 0.4686(8) 0.2822(2) Uani 0.0676(12) 8 0.0638(7) d . . .
O19w' O -0.09405(6) 0.50353(17) 0.27982(4) Uani 0.0628(15) 8 0.0613(8) d . . .
O19w'' O -0.0946(3) 0.4801(8) 0.28159(19) Uani 0.0628(15) 8 0.0794(8) d . . .
O24w O 0.14893(5) 0.78147(14) 0.12112(4) Uani 0.0794(4) 8 0.9844 d . . .
O24w' O 0.14893(5) 0.78147(14) 0.12112(4) Uani 0.0810(11) 8 0.0584(4) d . . .
O24w'' O 0.14606(17) 0.8459(6) 0.12072(13) Uani 0.0810(11) 8 0.0822(4) d . . .
O23w O 0.23918(7) 0.8178(2) 0.27698(5) Uani 0.0482(6) 8 0.8438 d . . .
Na6 Na 0.19805(4) 0.81763(13) 0.19782(3) Uani 0.0412(3) 8 0.75 d . . .
Na2 Na 0.00514(10) 0.6819(3) 0.25184(8) Uani 0.0597(8) 8 0.625 d . . .
Na2' Na -0.10471(10) 0.7698(3) 0.28287(6) Uani 0.0498(7) 8 0.0635(3) d . . .
Na2'' Na -0.03820(11) 0.7784(3) 0.25506(8) Uani 0.0662(9) 8 0.0615(3) d . . .
Na16' Na 0.1365(3) 0.701(4) 0.2648(3) Uani 0.057(3) 8 0.045(3) d . . .
Na16'' Na 0.14040(14) 0.810(2) 0.26918(10) Uani 0.063(2) 8 0.080(3) d . . .
Na16 Na 0.15002(4) 0.77376(14) 0.27693(3) Uani 0.0424(3) 8 0.125 d . . .
Na14' Na 0.09424(9) 0.9777(3) 0.14947(7) Uani 0.0388(7) 8 0.0535(3) d . . .
Na14'' Na 0.10948(7) 0.5619(2) 0.14939(6) Uani 0.0450(6) 8 0.0715(3) d . . .
Na14 Na 0.08987(4) 0.55808(13) 0.15807(3) Uani 0.0374(3) 8 0.125 d . . .
C1a C 0.03916(3) 0.80402(9) 0.43289(2) Uani 0.0302(8) 8 1 d . . .
C2a C 0.07968(5) 0.79840(15) 0.39558(3) Uani 0.0295(8) 8 1 d . . .
C3a C 0.15260(5) 0.81937(17) 0.40116(4) Uani 0.0382(9) 8 1 d . . .
C4a C 0.18280(6) 0.84604(18) 0.44525(4) Uani 0.0464(8) 8 1 d . . .
C5a C 0.14137(5) 0.85230(18) 0.48224(4) Uani 0.0474(8) 8 1 d . . .
C6a C 0.06809(5) 0.83085(16) 0.47699(3) Uani 0.0400(9) 8 1 d . . .
H1c3a H 0.181685 0.815631 0.375296 Uani 0.0480(18) 8 1 d . . .
H1c4a H 0.233657 0.860414 0.450015 Uani 0.0614(16) 8 1 d . . .
H1c5a H 0.163771 0.871987 0.512394 Uani 0.0632(16) 8 1 d . . .
H1c6a H 0.038829 0.834466 0.502759 Uani 0.0509(19) 8 1 d . . .
C1b C -0.18671(5) 0.8083(4) 0.12012(3) Uani 0.0301(12) 8 0.875 d . . .
C2b C -0.11389(6) 0.7948(4) 0.12620(4) Uani 0.0299(12) 8 0.875 d . . .
C3b C -0.07245(6) 0.8120(8) 0.08928(4) Uani 0.0413(13) 8 0.875 d . . .
C4b C -0.10679(7) 0.8429(4) 0.04650(4) Uani 0.0508(12) 8 0.875 d . . .
C5b C -0.17986(7) 0.8551(5) 0.04096(4) Uani 0.0529(12) 8 0.875 d . . .
C6b C -0.22190(6) 0.8385(8) 0.07786(4) Uani 0.0440(14) 8 0.875 d . . .
H1c3b H -0.02131 0.802975 0.093056 Uani 0.061(3) 8 0.875 d . . .
H1c4b H -0.078954 0.855999 0.020224 Uani 0.076(2) 8 0.875 d . . .
H1c5b H -0.20221 0.875546 0.010831 Uani 0.080(2) 8 0.875 d . . .
H1c6b H -0.273057 0.847484 0.074234 Uani 0.066(3) 8 0.875 d . . .
C1c C -0.19245(18) 0.7665(11) 0.11716(9) Uani 0.0301(12) 8 0.06660(16) d . . .
C2c C -0.12106(19) 0.7972(10) 0.11326(10) Uani 0.0299(12) 8 0.06660(16) d . . .
C3c C -0.09670(17) 0.8530(19) 0.07201(12) Uani 0.0413(12) 8 0.06660(16) d . . .
C4c C -0.14645(19) 0.8762(10) 0.03525(10) Uani 0.0508(11) 8 0.06660(16) d . . .
C5c C -0.21777(19) 0.8438(11) 0.03968(10) Uani 0.0529(11) 8 0.06660(16) d . . .
C6c C -0.24275(18) 0.7883(19) 0.08102(12) Uani 0.0440(13) 8 0.06660(16) d . . .
H1c3c H -0.046776 0.875093 0.068785 Uani 0.061(3) 8 0.06660(16) d . . .
H1c4c H -0.130735 0.915599 0.006123 Uani 0.076(2) 8 0.06660(16) d . . .
H1c5c H -0.250991 0.860097 0.013517 Uani 0.080(2) 8 0.06660(16) d . . .
H1c6c H -0.292636 0.766042 0.084383 Uani 0.066(3) 8 0.06660(16) d . . .
C1d C -0.1882(2) 0.7705(9) 0.12148(11) Uani 0.0301(12) 8 0.05840(16) d . . .
C2d C -0.1219(2) 0.7796(9) 0.10465(12) Uani 0.0299(12) 8 0.05840(16) d . . .
C3d C -0.11441(16) 0.8387(14) 0.06040(14) Uani 0.0413(12) 8 0.05840(16) d . . .
C4d C -0.1757(2) 0.8876(9) 0.03405(12) Uani 0.0508(11) 8 0.05840(16) d . . .
C5d C -0.2418(2) 0.8768(9) 0.05137(12) Uani 0.0529(11) 8 0.05840(16) d . . .
C6d C -0.24977(16) 0.8180(15) 0.09581(15) Uani 0.0440(13) 8 0.05840(16) d . . .
H1c3d H -0.068197 0.845882 0.048159 Uani 0.061(3) 8 0.05840(16) d . . .
H1c4d H -0.171788 0.929926 0.003091 Uani 0.076(2) 8 0.05840(16) d . . .
H1c5d H -0.283375 0.910653 0.032202 Uani 0.080(2) 8 0.05840(16) d . . .
H1c6d H -0.295888 0.810721 0.108187 Uani 0.066(3) 8 0.05840(16) d . . .

ADP components: [ Help ]

Atom site label Atom site symbol U11 U22 U33 U12 U13 U23
S1a S 0.03099(8) 0.04258(12) 0.02757(9) -0.00117(8) 0.00398(7) -0.00386(9)
O1a O 0.0433(3) 0.0612(5) 0.0482(4) 0.0169(3) 0.0037(3) -0.0088(3)
O2a O 0.0541(3) 0.0557(4) 0.0422(4) -0.0195(3) 0.0117(3) -0.0011(3)
O3a O 0.0442(3) 0.0646(5) 0.0269(3) -0.0031(3) 0.0080(2) -0.0018(3)
N1a N 0.0332(3) 0.0524(5) 0.0258(3) -0.0028(3) 0.0015(2) -0.0038(3)
C7a C 0.0367(4) 0.0336(4) 0.0268(4) 0.0004(3) 0.0025(3) -0.0003(3)
S1b S 0.03324(12) 0.03101(12) 0.03676(12) 0.00215(10) 0.00955(10) 0.00181(10)
S1b' S 0.03324(12) 0.03101(12) 0.03676(12) 0.00215(10) 0.00955(10) 0.00181(10)
S1b'' S 0.03324(12) 0.03101(12) 0.03676(12) 0.00215(10) 0.00955(10) 0.00181(10)
O1b O 0.0509(4) 0.0441(5) 0.0671(6) -0.0103(4) 0.0184(4) 0.0106(4)
O1b' O 0.0509(4) 0.0441(5) 0.0671(6) -0.0103(4) 0.0184(4) 0.0106(4)
O1b'' O 0.0509(4) 0.0441(5) 0.0671(6) -0.0103(4) 0.0184(4) 0.0106(4)
O2b O 0.0548(4) 0.0431(5) 0.0579(5) 0.0135(4) 0.0197(4) -0.0058(4)
O2b' O 0.0548(4) 0.0431(5) 0.0579(5) 0.0135(4) 0.0197(4) -0.0058(4)
O2b'' O 0.0548(4) 0.0431(5) 0.0579(5) 0.0135(4) 0.0197(4) -0.0058(4)
O3b O 0.0330(3) 0.0554(5) 0.0558(5) 0.0040(3) -0.0096(3) 0.0024(4)
O3b' O 0.0330(3) 0.0554(5) 0.0558(5) 0.0040(3) -0.0096(3) 0.0024(4)
O3b'' O 0.0330(3) 0.0554(5) 0.0558(5) 0.0040(3) -0.0096(3) 0.0024(4)
N1b N 0.0404(4) 0.0452(5) 0.0298(4) 0.0021(3) -0.0002(3) 0.0050(4)
N1b' N 0.0404(4) 0.0452(5) 0.0298(4) 0.0021(3) -0.0002(3) 0.0050(4)
N1b'' N 0.0404(4) 0.0452(5) 0.0298(4) 0.0021(3) -0.0002(3) 0.0050(4)
C7b C 0.0327(4) 0.0301(5) 0.0371(6) 0.0012(3) -0.0038(4) -0.0005(4)
C7b' C 0.0327(4) 0.0301(5) 0.0371(6) 0.0012(3) -0.0038(4) -0.0005(4)
C7b'' C 0.0327(4) 0.0301(5) 0.0371(6) 0.0012(3) -0.0038(4) -0.0005(4)
O28w O 0.0639(5) 0.0578(6) 0.0715(6) 0.0032(4) 0.0088(4) 0.0015(5)
O28w' O 0.071(2) 0.061(3) 0.093(5) 0.0062(18) -0.020(3) -0.011(3)
O28w'' O 0.071(2) 0.061(3) 0.093(5) 0.0062(18) -0.020(3) -0.011(3)
O18w O 0.0682(17) 0.052(2) 0.061(2) -0.0122(15) 0.0143(16) -0.0072(18)
O18w' O 0.052(2) 0.0749(17) 0.076(2) 0.011(2) 0.004(2) -0.0071(15)
O18w'' O 0.052(2) 0.0749(17) 0.076(2) 0.011(2) 0.004(2) -0.0071(15)
O19w' O 0.062(3) 0.0630(19) 0.062(3) -0.005(2) -0.0096(19) 0.0001(19)
O19w'' O 0.062(3) 0.0630(19) 0.062(3) -0.005(2) -0.0096(19) 0.0001(19)
O24w O 0.0939(7) 0.0670(7) 0.0743(7) 0.0026(5) -0.0170(5) 0.0039(6)
O24w' O 0.0743(15) 0.070(2) 0.095(2) 0.000(2) -0.0169(14) 0.011(2)
O24w'' O 0.0743(15) 0.070(2) 0.095(2) 0.000(2) -0.0169(14) 0.011(2)
O23w O 0.0475(8) 0.0509(11) 0.0468(10) -0.0004(7) 0.0073(7) -0.0031(8)
Na6 Na 0.0382(4) 0.0447(6) 0.0406(6) 0.0063(4) 0.0028(4) -0.0022(4)
Na2 Na 0.0388(10) 0.0757(16) 0.0640(14) -0.0008(10) -0.0024(9) 0.0239(12)
Na2' Na 0.0676(13) 0.0444(13) 0.0351(11) -0.0026(9) -0.0149(9) -0.0034(9)
Na2'' Na 0.0629(14) 0.0788(18) 0.0537(15) -0.0243(12) -0.0194(11) 0.0014(12)
Na16' Na 0.0355(16) 0.096(10) 0.039(2) 0.007(3) 0.0041(16) 0.020(4)
Na16'' Na 0.0410(9) 0.105(6) 0.0442(12) -0.0039(15) 0.0170(8) -0.0044(17)
Na16 Na 0.0349(4) 0.0567(7) 0.0360(5) -0.0050(4) 0.0058(4) 0.0028(4)
Na14' Na 0.0351(10) 0.0446(14) 0.0358(13) -0.0038(9) -0.0033(8) 0.0083(10)
Na14'' Na 0.0334(8) 0.0580(12) 0.0431(10) 0.0034(7) -0.0028(7) 0.0030(8)
Na14 Na 0.0330(4) 0.0439(6) 0.0349(5) 0.0066(4) -0.0022(3) -0.0017(4)
C1a C 0.0338(3) 0.028(2) 0.0287(3) 0.0008(5) 0.0008(2) -0.0018(6)
C2a C 0.0334(3) 0.026(2) 0.0288(3) 0.0004(5) 0.0008(2) -0.0001(6)
C3a C 0.0330(3) 0.038(3) 0.0434(3) 0.0000(6) 0.0034(2) -0.0003(5)
C4a C 0.0350(3) 0.049(2) 0.0538(3) -0.0002(5) -0.0087(2) -0.0058(5)
C5a C 0.0489(3) 0.052(2) 0.0397(3) 0.0030(5) -0.0133(2) -0.0096(5)
C6a C 0.0477(3) 0.043(3) 0.0289(3) 0.0038(6) -0.0012(2) -0.0060(6)
H1c3a H 0.0390(6) 0.052(5) 0.0545(5) 0.0004(11) 0.0132(5) 0.0024(11)
H1c4a H 0.0357(5) 0.067(5) 0.0787(6) -0.0017(10) -0.0133(4) -0.0076(11)
H1c5a H 0.0671(5) 0.072(5) 0.0464(6) 0.0053(10) -0.0238(4) -0.0155(11)
H1c6a H 0.0637(7) 0.059(6) 0.0300(5) 0.0067(12) 0.0055(5) -0.0072(11)
C1b C 0.0316(5) 0.024(4) 0.0348(4) -0.0002(6) 0.0015(3) 0.0002(6)
C2b C 0.0316(5) 0.025(4) 0.0331(4) 0.0003(6) 0.0019(3) -0.0010(6)
C3b C 0.0410(3) 0.039(4) 0.0456(5) -0.0010(4) 0.0140(2) -0.0033(7)
C4b C 0.0728(5) 0.045(4) 0.0359(4) -0.0012(5) 0.0176(3) -0.0011(6)
C5b C 0.0758(4) 0.050(4) 0.0319(4) 0.0027(6) -0.0062(3) 0.0012(6)
C6b C 0.0442(3) 0.042(4) 0.0435(6) 0.0025(5) -0.0106(2) 0.0005(7)
H1c3b H 0.0403(3) 0.073(8) 0.0729(11) 0.0002(7) 0.0211(3) -0.0038(16)
H1c4b H 0.1061(9) 0.079(7) 0.0463(5) -0.0018(12) 0.0366(5) 0.0012(11)
H1c5b H 0.1130(9) 0.089(7) 0.0359(5) 0.0074(12) -0.0175(5) 0.0057(11)
H1c6b H 0.0453(3) 0.080(8) 0.0694(12) 0.0060(7) -0.0203(3) 0.0027(16)
C1c C 0.0313(5) 0.024(3) 0.0349(4) 0.0014(7) 0.0024(3) -0.0011(8)
C2c C 0.0313(5) 0.026(3) 0.0328(4) 0.0014(7) 0.0026(3) -0.0020(8)
C3c C 0.0467(3) 0.038(4) 0.0402(6) -0.0015(7) 0.0141(3) -0.0007(9)
C4c C 0.0757(5) 0.046(3) 0.0313(4) 0.0047(7) 0.0085(3) 0.0023(8)
C5c C 0.0665(5) 0.053(3) 0.0375(4) 0.0091(7) -0.0138(3) -0.0015(8)
C6c C 0.0373(3) 0.044(4) 0.0489(6) 0.0030(7) -0.0087(3) -0.0035(10)
H1c3c H 0.0516(4) 0.071(8) 0.0642(12) -0.0086(13) 0.0260(5) 0.002(2)
H1c4c H 0.1150(9) 0.078(7) 0.0362(6) 0.0046(15) 0.0197(6) 0.0109(15)
H1c5c H 0.0939(9) 0.094(7) 0.0488(6) 0.0147(15) -0.0309(6) 0.0015(16)
H1c6c H 0.0356(4) 0.081(8) 0.0789(13) -0.0011(14) -0.0124(5) -0.002(2)
C1d C 0.0319(4) 0.024(3) 0.0344(5) -0.0001(6) 0.0031(3) -0.0020(10)
C2d C 0.0318(4) 0.026(3) 0.0322(5) -0.0001(6) 0.0026(3) -0.0027(10)
C3d C 0.0514(3) 0.039(4) 0.0342(6) -0.0037(5) 0.0103(3) -0.0012(11)
C4d C 0.0748(4) 0.045(3) 0.0315(5) 0.0013(5) -0.0043(3) 0.0024(10)
C5d C 0.0566(4) 0.050(3) 0.0488(5) 0.0083(5) -0.0189(3) -0.0009(10)
C6d C 0.0329(3) 0.044(4) 0.0544(6) 0.0035(5) -0.0041(3) -0.0037(12)
H1c3d H 0.0628(4) 0.073(8) 0.0511(12) -0.0069(9) 0.0260(5) 0.002(2)
H1c4d H 0.1164(8) 0.076(7) 0.0338(8) 0.0024(11) -0.0028(5) 0.012(2)
H1c5d H 0.0747(8) 0.089(7) 0.0718(9) 0.0182(11) -0.0368(6) 0.004(2)
H1c6d H 0.0317(4) 0.081(8) 0.0850(13) 0.0052(9) 0.0020(6) -0.002(2)

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): [ Help ]

Wave vector code q_1
1 1
2 2
3 3
4 4

Occupation crenel coefficients: [ Help ]

Atom site label Center (x0) Width
S1b 0.71339(3) 0.875
S1b' 1.15125(18) 0.125
S1b'' 1.1391(2) 0.125
O1b 0.59265(9) 0.875
O1b' 1.0075(11) 0.125
O1b'' 1.2413(4) 0.125
O2b 0.83854(9) 0.875
O2b' 1.2467(4) 0.125
O2b'' 1.0034(12) 0.125
O3b 0.68855(9) 0.875
O3b' 1.2244(5) 0.125
O3b'' 1.1492(5) 0.125
N1b 0.69371(10) 0.875
N1b' 1.1690(5) 0.125
N1b'' 1.1245(6) 0.125
C7b 0.69929(11) 0.875
C7b' 1.2039(6) 0.125
C7b'' 1.1584(7) 0.125
O28w 0.39410(11) 0.875
O28w' 0.89410(11) 0.125
O28w'' 0.9121(9) 0.125
O18w 0.44015(13) 0.75
O18w' 0.87765(13) 0.125
O18w'' 0.8515(6) 0.125
O19w' 1.00265(13) 0.125
O19w'' 0.9851(6) 0.125
O24w 0.71110(11) 0.875
O24w' 0.21110(11) 0.125
O24w'' 0.2594(4) 0.125
O23w 0.80083(17) 0.75
Na6 0.80072(10) 0.75
Na2 0.6364(3) 0.625
Na2' 0.2023(2) 0.125
Na2'' 0.2088(3) 0.125
Na16' 0.151(3) 0.125
Na16'' 0.2328(17) 0.125
Na16 0.33032(10) 0.125
Na14' 0.3582(2) 0.125
Na14'' 0.04642(19) 0.125
Na14 0.16856(9) 0.125
C1b 0.7312 0.875
C2b 0.7211 0.875
C3b 0.734 0.875
C4b 0.7572 0.875
C5b 0.7663 0.875
C6b 0.7538 0.875
H1c3b 0.7272 0.875
H1c4b 0.767 0.875
H1c5b 0.7817 0.875
H1c6b 0.7606 0.875
C1c 1.1999 0.125
C2c 1.2229 0.125
C3c 1.2647 0.125
C4c 1.2821 0.125
C5c 1.2579 0.125
C6c 1.2162 0.125
H1c3c 1.2813 0.125
H1c4c 1.3117 0.125
H1c5c 1.2701 0.125
H1c6c 1.1995 0.125
C1d 1.2029 0.125
C2d 1.2097 0.125
C3d 1.254 0.125
C4d 1.2907 0.125
C5d 1.2826 0.125
C6d 1.2385 0.125
H1c3d 1.2594 0.125
H1c4d 1.3224 0.125
H1c5d 1.308 0.125
H1c6d 1.233 0.125

Definition of the displacive (translational) Fourier series: [ Help ]

Modulation code Atom site label Displacement axis Wave vector code
S1ax1 S1a x 1
S1ay1 S1a y 1
S1az1 S1a z 1
S1ax2 S1a x 2
S1ay2 S1a y 2
S1az2 S1a z 2
S1ax3 S1a x 3
S1ay3 S1a y 3
S1az3 S1a z 3
S1ax4 S1a x 4
S1ay4 S1a y 4
S1az4 S1a z 4
O1ax1 O1a x 1
O1ay1 O1a y 1
O1az1 O1a z 1
O1ax2 O1a x 2
O1ay2 O1a y 2
O1az2 O1a z 2
O1ax3 O1a x 3
O1ay3 O1a y 3
O1az3 O1a z 3
O1ax4 O1a x 4
O1ay4 O1a y 4
O1az4 O1a z 4
O2ax1 O2a x 1
O2ay1 O2a y 1
O2az1 O2a z 1
O2ax2 O2a x 2
O2ay2 O2a y 2
O2az2 O2a z 2
O2ax3 O2a x 3
O2ay3 O2a y 3
O2az3 O2a z 3
O2ax4 O2a x 4
O2ay4 O2a y 4
O2az4 O2a z 4
O3ax1 O3a x 1
O3ay1 O3a y 1
O3az1 O3a z 1
O3ax2 O3a x 2
O3ay2 O3a y 2
O3az2 O3a z 2
O3ax3 O3a x 3
O3ay3 O3a y 3
O3az3 O3a z 3
O3ax4 O3a x 4
O3ay4 O3a y 4
O3az4 O3a z 4
N1ax1 N1a x 1
N1ay1 N1a y 1
N1az1 N1a z 1
N1ax2 N1a x 2
N1ay2 N1a y 2
N1az2 N1a z 2
N1ax3 N1a x 3
N1ay3 N1a y 3
N1az3 N1a z 3
N1ax4 N1a x 4
N1ay4 N1a y 4
N1az4 N1a z 4
C7ax1 C7a x 1
C7ay1 C7a y 1
C7az1 C7a z 1
C7ax2 C7a x 2
C7ay2 C7a y 2
C7az2 C7a z 2
C7ax3 C7a x 3
C7ay3 C7a y 3
C7az3 C7a z 3
C7ax4 C7a x 4
C7ay4 C7a y 4
C7az4 C7a z 4
S1bx1 S1b x 1
S1by1 S1b y 1
S1bz1 S1b z 1
S1bx2 S1b x 2
S1by2 S1b y 2
S1bz2 S1b z 2
S1bx3 S1b x 3
S1by3 S1b y 3
S1bz3 S1b z 3
O1bx1 O1b x 1
O1by1 O1b y 1
O1bz1 O1b z 1
O1bx2 O1b x 2
O1by2 O1b y 2
O1bz2 O1b z 2
O1bx3 O1b x 3
O1by3 O1b y 3
O1bz3 O1b z 3
O2bx1 O2b x 1
O2by1 O2b y 1
O2bz1 O2b z 1
O2bx2 O2b x 2
O2by2 O2b y 2
O2bz2 O2b z 2
O2bx3 O2b x 3
O2by3 O2b y 3
O2bz3 O2b z 3
O3bx1 O3b x 1
O3by1 O3b y 1
O3bz1 O3b z 1
O3bx2 O3b x 2
O3by2 O3b y 2
O3bz2 O3b z 2
O3bx3 O3b x 3
O3by3 O3b y 3
O3bz3 O3b z 3
N1bx1 N1b x 1
N1by1 N1b y 1
N1bz1 N1b z 1
N1bx2 N1b x 2
N1by2 N1b y 2
N1bz2 N1b z 2
N1bx3 N1b x 3
N1by3 N1b y 3
N1bz3 N1b z 3
C7bx1 C7b x 1
C7by1 C7b y 1
C7bz1 C7b z 1
C7bx2 C7b x 2
C7by2 C7b y 2
C7bz2 C7b z 2
C7bx3 C7b x 3
C7by3 C7b y 3
C7bz3 C7b z 3
O28wx1 O28w x 1
O28wy1 O28w y 1
O28wz1 O28w z 1
O28wx2 O28w x 2
O28wy2 O28w y 2
O28wz2 O28w z 2
O28wx3 O28w x 3
O28wy3 O28w y 3
O28wz3 O28w z 3
O28wx4 O28w x 4
O28wy4 O28w y 4
O28wz4 O28w z 4
O28w'x1 O28w' x 1
O28w'y1 O28w' y 1
O28w'z1 O28w' z 1
O28w'x2 O28w' x 2
O28w'y2 O28w' y 2
O28w'z2 O28w' z 2
O28w'x3 O28w' x 3
O28w'y3 O28w' y 3
O28w'z3 O28w' z 3
O28w'x4 O28w' x 4
O28w'y4 O28w' y 4
O28w'z4 O28w' z 4
O18wx1 O18w x 1
O18wy1 O18w y 1
O18wz1 O18w z 1
O18wx2 O18w x 2
O18wy2 O18w y 2
O18wz2 O18w z 2
O18wx3 O18w x 3
O18wy3 O18w y 3
O18wz3 O18w z 3
O18wx4 O18w x 4
O18wy4 O18w y 4
O18wz4 O18w z 4
O18w'x1 O18w' x 1
O18w'y1 O18w' y 1
O18w'z1 O18w' z 1
O18w'x2 O18w' x 2
O18w'y2 O18w' y 2
O18w'z2 O18w' z 2
O18w'x3 O18w' x 3
O18w'y3 O18w' y 3
O18w'z3 O18w' z 3
O18w'x4 O18w' x 4
O18w'y4 O18w' y 4
O18w'z4 O18w' z 4
O19w'x1 O19w' x 1
O19w'y1 O19w' y 1
O19w'z1 O19w' z 1
O19w'x2 O19w' x 2
O19w'y2 O19w' y 2
O19w'z2 O19w' z 2
O19w'x3 O19w' x 3
O19w'y3 O19w' y 3
O19w'z3 O19w' z 3
O19w'x4 O19w' x 4
O19w'y4 O19w' y 4
O19w'z4 O19w' z 4
O24wx1 O24w x 1
O24wy1 O24w y 1
O24wz1 O24w z 1
O24wx2 O24w x 2
O24wy2 O24w y 2
O24wz2 O24w z 2
O24wx3 O24w x 3
O24wy3 O24w y 3
O24wz3 O24w z 3
O24wx4 O24w x 4
O24wy4 O24w y 4
O24wz4 O24w z 4
O24w'x1 O24w' x 1
O24w'y1 O24w' y 1
O24w'z1 O24w' z 1
O24w'x2 O24w' x 2
O24w'y2 O24w' y 2
O24w'z2 O24w' z 2
O24w'x3 O24w' x 3
O24w'y3 O24w' y 3
O24w'z3 O24w' z 3
O24w'x4 O24w' x 4
O24w'y4 O24w' y 4
O24w'z4 O24w' z 4
O23wx1 O23w x 1
O23wy1 O23w y 1
O23wz1 O23w z 1
O23wx2 O23w x 2
O23wy2 O23w y 2
O23wz2 O23w z 2
O23wx3 O23w x 3
O23wy3 O23w y 3
O23wz3 O23w z 3
Na6x1 Na6 x 1
Na6y1 Na6 y 1
Na6z1 Na6 z 1
Na6x2 Na6 x 2
Na6y2 Na6 y 2
Na6z2 Na6 z 2
Na6x3 Na6 x 3
Na6y3 Na6 y 3
Na6z3 Na6 z 3
Na2x1 Na2 x 1
Na2y1 Na2 y 1
Na2z1 Na2 z 1
Na2x2 Na2 x 2
Na2y2 Na2 y 2
Na2z2 Na2 z 2
C1ax1 C1a x 1
C1ay1 C1a y 1
C1az1 C1a z 1
C1ax2 C1a x 2
C1ay2 C1a y 2
C1az2 C1a z 2
C1ax3 C1a x 3
C1ay3 C1a y 3
C1az3 C1a z 3
C1ax4 C1a x 4
C1ay4 C1a y 4
C1az4 C1a z 4
C2ax1 C2a x 1
C2ay1 C2a y 1
C2az1 C2a z 1
C2ax2 C2a x 2
C2ay2 C2a y 2
C2az2 C2a z 2
C2ax3 C2a x 3
C2ay3 C2a y 3
C2az3 C2a z 3
C2ax4 C2a x 4
C2ay4 C2a y 4
C2az4 C2a z 4
C3ax1 C3a x 1
C3ay1 C3a y 1
C3az1 C3a z 1
C3ax2 C3a x 2
C3ay2 C3a y 2
C3az2 C3a z 2
C3ax3 C3a x 3
C3ay3 C3a y 3
C3az3 C3a z 3
C3ax4 C3a x 4
C3ay4 C3a y 4
C3az4 C3a z 4
C4ax1 C4a x 1
C4ay1 C4a y 1
C4az1 C4a z 1
C4ax2 C4a x 2
C4ay2 C4a y 2
C4az2 C4a z 2
C4ax3 C4a x 3
C4ay3 C4a y 3
C4az3 C4a z 3
C4ax4 C4a x 4
C4ay4 C4a y 4
C4az4 C4a z 4
C5ax1 C5a x 1
C5ay1 C5a y 1
C5az1 C5a z 1
C5ax2 C5a x 2
C5ay2 C5a y 2
C5az2 C5a z 2
C5ax3 C5a x 3
C5ay3 C5a y 3
C5az3 C5a z 3
C5ax4 C5a x 4
C5ay4 C5a y 4
C5az4 C5a z 4
C6ax1 C6a x 1
C6ay1 C6a y 1
C6az1 C6a z 1
C6ax2 C6a x 2
C6ay2 C6a y 2
C6az2 C6a z 2
C6ax3 C6a x 3
C6ay3 C6a y 3
C6az3 C6a z 3
C6ax4 C6a x 4
C6ay4 C6a y 4
C6az4 C6a z 4
H1c3ax1 H1c3a x 1
H1c3ay1 H1c3a y 1
H1c3az1 H1c3a z 1
H1c3ax2 H1c3a x 2
H1c3ay2 H1c3a y 2
H1c3az2 H1c3a z 2
H1c3ax3 H1c3a x 3
H1c3ay3 H1c3a y 3
H1c3az3 H1c3a z 3
H1c3ax4 H1c3a x 4
H1c3ay4 H1c3a y 4
H1c3az4 H1c3a z 4
H1c4ax1 H1c4a x 1
H1c4ay1 H1c4a y 1
H1c4az1 H1c4a z 1
H1c4ax2 H1c4a x 2
H1c4ay2 H1c4a y 2
H1c4az2 H1c4a z 2
H1c4ax3 H1c4a x 3
H1c4ay3 H1c4a y 3
H1c4az3 H1c4a z 3
H1c4ax4 H1c4a x 4
H1c4ay4 H1c4a y 4
H1c4az4 H1c4a z 4
H1c5ax1 H1c5a x 1
H1c5ay1 H1c5a y 1
H1c5az1 H1c5a z 1
H1c5ax2 H1c5a x 2
H1c5ay2 H1c5a y 2
H1c5az2 H1c5a z 2
H1c5ax3 H1c5a x 3
H1c5ay3 H1c5a y 3
H1c5az3 H1c5a z 3
H1c5ax4 H1c5a x 4
H1c5ay4 H1c5a y 4
H1c5az4 H1c5a z 4
H1c6ax1 H1c6a x 1
H1c6ay1 H1c6a y 1
H1c6az1 H1c6a z 1
H1c6ax2 H1c6a x 2
H1c6ay2 H1c6a y 2
H1c6az2 H1c6a z 2
H1c6ax3 H1c6a x 3
H1c6ay3 H1c6a y 3
H1c6az3 H1c6a z 3
H1c6ax4 H1c6a x 4
H1c6ay4 H1c6a y 4
H1c6az4 H1c6a z 4
C1bx1 C1b x 1
C1by1 C1b y 1
C1bz1 C1b z 1
C1bx2 C1b x 2
C1by2 C1b y 2
C1bz2 C1b z 2
C1bx3 C1b x 3
C1by3 C1b y 3
C1bz3 C1b z 3
C2bx1 C2b x 1
C2by1 C2b y 1
C2bz1 C2b z 1
C2bx2 C2b x 2
C2by2 C2b y 2
C2bz2 C2b z 2
C2bx3 C2b x 3
C2by3 C2b y 3
C2bz3 C2b z 3
C3bx1 C3b x 1
C3by1 C3b y 1
C3bz1 C3b z 1
C3bx2 C3b x 2
C3by2 C3b y 2
C3bz2 C3b z 2
C3bx3 C3b x 3
C3by3 C3b y 3
C3bz3 C3b z 3
C4bx1 C4b x 1
C4by1 C4b y 1
C4bz1 C4b z 1
C4bx2 C4b x 2
C4by2 C4b y 2
C4bz2 C4b z 2
C4bx3 C4b x 3
C4by3 C4b y 3
C4bz3 C4b z 3
C5bx1 C5b x 1
C5by1 C5b y 1
C5bz1 C5b z 1
C5bx2 C5b x 2
C5by2 C5b y 2
C5bz2 C5b z 2
C5bx3 C5b x 3
C5by3 C5b y 3
C5bz3 C5b z 3
C6bx1 C6b x 1
C6by1 C6b y 1
C6bz1 C6b z 1
C6bx2 C6b x 2
C6by2 C6b y 2
C6bz2 C6b z 2
C6bx3 C6b x 3
C6by3 C6b y 3
C6bz3 C6b z 3
H1c3bx1 H1c3b x 1
H1c3by1 H1c3b y 1
H1c3bz1 H1c3b z 1
H1c3bx2 H1c3b x 2
H1c3by2 H1c3b y 2
H1c3bz2 H1c3b z 2
H1c3bx3 H1c3b x 3
H1c3by3 H1c3b y 3
H1c3bz3 H1c3b z 3
H1c4bx1 H1c4b x 1
H1c4by1 H1c4b y 1
H1c4bz1 H1c4b z 1
H1c4bx2 H1c4b x 2
H1c4by2 H1c4b y 2
H1c4bz2 H1c4b z 2
H1c4bx3 H1c4b x 3
H1c4by3 H1c4b y 3
H1c4bz3 H1c4b z 3
H1c5bx1 H1c5b x 1
H1c5by1 H1c5b y 1
H1c5bz1 H1c5b z 1
H1c5bx2 H1c5b x 2
H1c5by2 H1c5b y 2
H1c5bz2 H1c5b z 2
H1c5bx3 H1c5b x 3
H1c5by3 H1c5b y 3
H1c5bz3 H1c5b z 3
H1c6bx1 H1c6b x 1
H1c6by1 H1c6b y 1
H1c6bz1 H1c6b z 1
H1c6bx2 H1c6b x 2
H1c6by2 H1c6b y 2
H1c6bz2 H1c6b z 2
H1c6bx3 H1c6b x 3
H1c6by3 H1c6b y 3
H1c6bz3 H1c6b z 3

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
S1ax1 -0.002949(13) 0.001866(13)
S1ay1 0.01819(4) -0.00946(4)
S1az1 -0.001097(9) 0.000795(9)
S1ax2 0.007328(12) 0.003497(13)
S1ay2 -0.00002(4) 0.02376(4)
S1az2 -0.000740(9) -0.001578(9)
S1ax3 -0.003801(12) 0.016384(13)
S1ay3 -0.01254(4) 0.00388(4)
S1az3 -0.000608(9) 0.003057(9)
S1ax4 0 -0.000975(10)
S1ay4 0 -0.01106(3)
S1az4 0 -0.000355(7)
O1ax1 -0.00005(4) -0.00171(4)
O1ay1 0.02153(12) 0.00375(13)
O1az1 0.00270(3) 0.00043(3)
O1ax2 -0.00562(4) 0.00611(4)
O1ay2 -0.02752(12) -0.00169(12)
O1az2 0.00121(3) -0.00060(3)
O1ax3 -0.00814(4) -0.01447(4)
O1ay3 0.00854(13) -0.01215(12)
O1az3 -0.00223(3) -0.00311(3)
O1ax4 0 0.00283(3)
O1ay4 0 0.01442(10)
O1az4 0 0.00033(2)
O2ax1 -0.00221(4) 0.00334(4)
O2ay1 0.00264(12) -0.01862(12)
O2az1 -0.00331(3) 0.00190(3)
O2ax2 0.00100(4) -0.00770(4)
O2ay2 0.02674(12) 0.00209(12)
O2az2 -0.00165(3) 0.00218(3)
O2ax3 0.01391(4) -0.01106(4)
O2ay3 0.01098(12) 0.00815(13)
O2az3 0.00197(3) -0.00144(3)
O2ax4 0 -0.00053(3)
O2ay4 0 0.01296(9)
O2az4 0 0.00060(2)
O3ax1 -0.00397(4) 0.01518(4)
O3ay1 0.03743(12) 0.00225(12)
O3az1 -0.00192(3) 0.00727(3)
O3ax2 0.01183(4) 0.00111(4)
O3ay2 0.01216(12) 0.00639(12)
O3az2 0.00024(3) -0.00165(3)
O3ax3 -0.00005(4) 0.01496(4)
O3ay3 -0.00625(12) 0.02112(12)
O3az3 0.00015(3) 0.00215(3)
O3ax4 0 0.00049(3)
O3ay4 0 -0.00279(9)
O3az4 0 0.000289(18)
N1ax1 -0.00333(4) 0.00945(4)
N1ay1 0.02855(14) -0.00987(13)
N1az1 -0.00148(3) 0.00210(3)
N1ax2 0.00984(4) 0.00130(4)
N1ay2 0.00881(13) 0.01928(14)
N1az2 -0.00099(3) -0.00135(3)
N1ax3 0.00052(4) 0.01579(4)
N1ay3 -0.00933(14) 0.01156(13)
N1az3 0.00013(3) 0.00291(3)
N1ax4 0 -0.00013(3)
N1ay4 0 -0.00894(10)
N1az4 0 -0.00025(2)
C7ax1 -0.00392(5) 0.01031(5)
C7ay1 0.02717(15) -0.00116(15)
C7az1 -0.00171(4) 0.00589(4)
C7ax2 0.01010(5) 0.00266(5)
C7ay2 0.00924(15) 0.01194(15)
C7az2 0.00017(4) -0.00166(4)
C7ax3 -0.00239(5) 0.01551(5)
C7ay3 -0.00909(16) 0.01338(15)
C7az3 -0.00027(4) 0.00233(4)
C7ax4 0 -0.00011(4)
C7ay4 0 -0.00470(12)
C7az4 0 0.00005(3)
S1bx1 -0.002163(13) 0.02427(2)
S1by1 -0.04056(4) -0.01202(7)
S1bz1 0.002450(10) 0.004950(16)
S1bx2 -0.012876(19) 0.003820(15)
S1by2 0.02510(6) -0.05790(5)
S1bz2 -0.006869(15) 0.003522(11)
S1bx3 -0.006531(16) 0.003859(18)
S1by3 0.02319(5) 0.00848(6)
S1bz3 0.000486(13) -0.002020(14)
O1bx1 0.02688(6) 0.01359(5)
O1by1 -0.05379(18) 0.03650(15)
O1bz1 0.00761(5) 0.00565(4)
O1bx2 0.01391(5) 0.01924(6)
O1by2 -0.07680(13) -0.03966(19)
O1bz2 0.00186(3) 0.00909(5)
O1bx3 0.00887(4) 0.00428(6)
O1by3 -0.00813(12) -0.02650(19)
O1bz3 -0.00264(3) 0.00033(5)
O2bx1 -0.03101(5) 0.00812(6)
O2by1 -0.02867(14) -0.05218(18)
O2bz1 -0.00540(4) 0.00644(5)
O2bx2 0.00609(5) -0.00901(6)
O2by2 0.07799(14) 0.03165(17)
O2bz2 -0.00672(4) -0.00788(4)
O2bx3 0.00162(7) -0.00646(4)
O2by3 -0.0244(2) 0.01439(11)
O2bz3 0.00294(5) 0.00164(3)
O3bx1 0.00335(4) 0.02307(6)
O3by1 0.05002(13) -0.00349(19)
O3bz1 0.00611(3) -0.01495(5)
O3bx2 -0.01233(5) 0.01018(5)
O3by2 -0.00422(16) 0.01093(16)
O3bz2 0.00074(4) -0.00104(4)
O3bx3 -0.00467(5) 0.00481(4)
O3by3 0.01030(18) 0.00718(13)
O3bz3 0.00259(4) 0.00102(3)
N1bx1 0.00192(5) 0.03003(7)
N1by1 -0.00126(15) -0.0097(2)
N1bz1 0.00462(3) -0.00258(5)
N1bx2 -0.01475(6) 0.01062(6)
N1by2 0.00440(19) -0.03590(18)
N1bz2 -0.00342(4) 0.00285(4)
N1bx3 -0.00584(6) 0.00426(5)
N1by3 0.0228(2) 0.00324(16)
N1bz3 0.00087(5) -0.00075(4)
C7bx1 0.00134(5) 0.02111(8)
C7by1 0.01898(16) -0.0043(2)
C7bz1 0.00567(4) -0.00809(6)
C7bx2 -0.01171(7) 0.00667(6)
C7by2 0.0010(2) -0.01111(19)
C7bz2 -0.00155(5) 0.00105(5)
C7bx3 -0.00502(7) 0.00493(6)
C7by3 0.0139(2) 0.00499(18)
C7bz3 0.00133(5) 0.00013(5)
O28wx1 -0.02656(8) 0.00711(7)
O28wy1 0.0099(2) 0.00273(19)
O28wz1 0.00907(6) 0.00272(5)
O28wx2 -0.00667(5) -0.00090(9)
O28wy2 0.00804(13) -0.0245(3)
O28wz2 -0.00130(3) 0.00100(7)
O28wx3 0.00215(5) -0.00978(9)
O28wy3 0.01011(15) -0.0264(3)
O28wz3 -0.00541(4) -0.00340(7)
O28wx4 0 -0.00057(11)
O28wy4 0 -0.0180(3)
O28wz4 0 -0.00695(8)
O28w'x1 -0.02656(8) 0.00711(7)
O28w'y1 0.0099(2) 0.00273(19)
O28w'z1 0.00907(6) 0.00272(5)
O28w'x2 -0.00667(5) -0.00090(9)
O28w'y2 0.00804(13) -0.0245(3)
O28w'z2 -0.00130(3) 0.00100(7)
O28w'x3 0.00215(5) -0.00978(9)
O28w'y3 0.01011(15) -0.0264(3)
O28w'z3 -0.00541(4) -0.00340(7)
O28w'x4 0 -0.00057(11)
O28w'y4 0 -0.0180(3)
O28w'z4 0 -0.00695(8)
O18wx1 0.02264(10) 0.02238(5)
O18wy1 -0.0307(3) -0.00202(15)
O18wz1 -0.00799(7) 0.00389(4)
O18wx2 0.00346(9) 0.00135(7)
O18wy2 -0.0074(3) 0.00116(19)
O18wz2 -0.00387(7) 0.00037(5)
O18wx3 0.00093(10) -0.02118(6)
O18wy3 -0.0097(3) 0.01426(16)
O18wz3 -0.00146(7) -0.00396(4)
O18wx4 0.00261(6) 0
O18wy4 -0.00154(17) 0
O18wz4 0.00162(4) 0
O18w'x1 0.02264(10) 0.02238(5)
O18w'y1 -0.0307(3) -0.00202(15)
O18w'z1 -0.00799(7) 0.00389(4)
O18w'x2 0.00346(9) 0.00135(7)
O18w'y2 -0.0074(3) 0.00116(19)
O18w'z2 -0.00387(7) 0.00037(5)
O18w'x3 0.00093(10) -0.02118(6)
O18w'y3 -0.0097(3) 0.01426(16)
O18w'z3 -0.00146(7) -0.00396(4)
O18w'x4 0.00261(6) 0
O18w'y4 -0.00154(17) 0
O18w'z4 0.00162(4) 0
O19w'x1 0.02264(10) 0.02238(5)
O19w'y1 -0.0307(3) -0.00202(15)
O19w'z1 -0.00799(7) 0.00389(4)
O19w'x2 0.00346(9) 0.00135(7)
O19w'y2 -0.0074(3) 0.00116(19)
O19w'z2 -0.00387(7) 0.00037(5)
O19w'x3 0.00093(10) -0.02118(6)
O19w'y3 -0.0097(3) 0.01426(16)
O19w'z3 -0.00146(7) -0.00396(4)
O19w'x4 0.00261(6) 0
O19w'y4 -0.00154(17) 0
O19w'z4 0.00162(4) 0
O24wx1 -0.00019(5) 0.00336(8)
O24wy1 -0.00423(14) -0.0159(2)
O24wz1 -0.00005(3) 0.00687(6)
O24wx2 0.00449(7) 0.00356(5)
O24wy2 0.0099(2) -0.01414(16)
O24wz2 0.00257(5) 0.00138(4)
O24wx3 -0.00511(6) 0.01266(7)
O24wy3 0.01897(19) 0.01051(19)
O24wz3 0.00089(4) 0.00184(5)
O24wx4 0 -0.00097(5)
O24wy4 0 0.03152(16)
O24wz4 0 -0.00116(4)
O24w'x1 -0.00019(5) 0.00336(8)
O24w'y1 -0.00423(14) -0.0159(2)
O24w'z1 -0.00005(3) 0.00687(6)
O24w'x2 0.00449(7) 0.00356(5)
O24w'y2 0.0099(2) -0.01414(16)
O24w'z2 0.00257(5) 0.00138(4)
O24w'x3 -0.00511(6) 0.01266(7)
O24w'y3 0.01897(19) 0.01051(19)
O24w'z3 0.00089(4) 0.00184(5)
O24w'x4 0 -0.00097(5)
O24w'y4 0 0.03152(16)
O24w'z4 0 -0.00116(4)
O23wx1 -0.00996(5) 0.03181(13)
O23wy1 -0.08885(15) 0.0263(4)
O23wz1 0.00058(4) 0.00195(9)
O23wx2 -0.04277(10) -0.03514(6)
O23wy2 -0.0370(3) -0.01824(18)
O23wz2 0.01051(7) 0.00730(4)
O23wx3 0 0.00801(7)
O23wy3 0 -0.0383(2)
O23wz3 0 0.00380(5)
Na6x1 -0.00821(3) 0.03445(7)
Na6y1 -0.06291(9) 0.0449(2)
Na6z1 -0.00045(2) 0.00257(6)
Na6x2 -0.01918(6) -0.01092(3)
Na6y2 -0.04082(17) -0.01404(10)
Na6z2 0.00521(4) 0.00363(3)
Na6x3 0 0.00229(4)
Na6y3 0 -0.03788(12)
Na6z3 0 0.00408(3)
Na2x1 -0.01337(12) 0.02044(13)
Na2y1 0.0903(4) 0.2274(4)
Na2z1 0.00303(9) 0.00038(10)
Na2x2 -0.01980(4) 0.00095(9)
Na2y2 -0.07212(12) 0.0538(3)
Na2z2 0.00018(3) 0.00042(7)
C1ax1 -0.00232(3) -0.00079(3)
C1ay1 0.00993(11) -0.00305(11)
C1az1 -0.00217(2) 0.00550(2)
C1ax2 0.00591(3) 0.00583(3)
C1ay2 -0.00234(11) 0.01395(11)
C1az2 0.00089(2) -0.00143(2)
C1ax3 -0.01054(3) 0.01347(3)
C1ay3 -0.00954(11) 0.00157(11)
C1az3 -0.00158(2) 0.00202(2)
C1ax4 -0.00379(6) -0.00870(13)
C1ay4 -0.0113(2) -0.0260(5)
C1az4 0.00011(4) 0.00025(9)
C2ax1 -0.00348(3) 0.00408(3)
C2ay1 0.01306(11) 0.00197(11)
C2az1 -0.00258(2) 0.00777(2)
C2ax2 0.00757(3) 0.00575(3)
C2ay2 0.00540(11) 0.01030(11)
C2az2 0.00139(2) -0.00134(2)
C2ax3 -0.00894(3) 0.01361(3)
C2ay3 -0.00967(11) 0.00580(11)
C2az3 -0.00118(2) 0.00180(2)
C2ax4 -0.00314(7) -0.00552(12)
C2ay4 -0.0059(3) -0.0104(5)
C2az4 0.00079(5) 0.00139(9)
C3ax1 -0.00350(3) 0.00326(3)
C3ay1 0.00606(10) 0.00699(11)
C3az1 -0.004296(18) 0.011127(19)
C3ax2 0.00597(3) 0.00732(3)
C3ay2 0.00895(10) 0.00551(10)
C3az2 0.002688(19) -0.000573(19)
C3ax3 -0.01265(3) 0.01028(3)
C3ay3 -0.00874(10) 0.00649(10)
C3az3 -0.001243(19) 0.001008(19)
C3ax4 -0.000978(19) -0.00798(15)
C3ay4 0.00297(6) 0.0242(5)
C3az4 0.000427(11) 0.00349(9)
C4ax1 -0.00121(3) -0.00221(3)
C4ay1 -0.00396(10) 0.00447(10)
C4az1 -0.005978(19) 0.01186(2)
C4ax2 0.00243(3) 0.00786(3)
C4ay2 0.00593(10) 0.00390(10)
C4az2 0.003174(19) 0.000428(19)
C4ax3 -0.01644(3) 0.00494(3)
C4ay3 -0.00740(10) 0.00444(10)
C4az3 -0.00142(2) 0.00041(2)
C4ax4 0.00482(5) -0.01204(13)
C4ay4 -0.01615(19) 0.0403(5)
C4az4 -0.00149(4) 0.00373(9)
C5ax1 0.00116(3) -0.00660(3)
C5ay1 -0.00575(10) -0.00158(10)
C5az1 -0.005200(19) 0.00964(2)
C5ax2 0.00089(3) 0.00714(3)
C5ay2 -0.00232(10) 0.00418(10)
C5az2 0.00270(2) 0.00020(2)
C5ax3 -0.01762(3) 0.00359(3)
C5ay3 -0.00518(10) 0.00139(10)
C5az3 -0.00187(2) 0.00036(2)
C5ax4 0.00772(7) -0.01418(12)
C5ay4 -0.0127(2) 0.0234(5)
C5az4 -0.00127(5) 0.00233(9)
C6ax1 0.00010(3) -0.00627(3)
C6ay1 0.00103(11) -0.00441(11)
C6az1 -0.003040(19) 0.006501(19)
C6ax2 0.00265(3) 0.00664(3)
C6ay2 -0.00776(11) 0.00957(11)
C6az2 0.001679(19) -0.000923(19)
C6ax3 -0.01564(3) 0.00885(3)
C6ay3 -0.00608(11) -0.00122(11)
C6az3 -0.002136(19) 0.001207(19)
C6ax4 0.001363(15) -0.01437(16)
C6ay4 0.00094(5) -0.0099(5)
C6az4 -0.000070(9) 0.00074(9)
H1c3ax1 -0.00450(4) 0.00659(4)
H1c3ay1 0.00803(16) 0.01077(16)
H1c3az1 -0.00462(2) 0.01275(2)
H1c3ax2 0.00712(4) 0.00742(4)
H1c3ay2 0.01444(16) 0.00333(16)
H1c3az2 0.00306(2) -0.00050(2)
H1c3ax3 -0.01165(4) 0.01057(4)
H1c3ay3 -0.00913(16) 0.00929(16)
H1c3az3 -0.00097(2) 0.00088(2)
H1c3ax4 -0.00112(4) -0.0058(2)
H1c3ay4 0.00692(15) 0.0355(8)
H1c3az4 0.00085(2) 0.00438(11)
H1c4ax1 -0.00070(3) -0.00265(4)
H1c4ay1 -0.00949(15) 0.00574(16)
H1c4az1 -0.00791(3) 0.01379(3)
H1c4ax2 0.00107(4) 0.00814(4)
H1c4ay2 0.01042(15) 0.00246(15)
H1c4az2 0.00365(3) 0.00143(3)
H1c4ax3 -0.01714(4) 0.00140(4)
H1c4ay3 -0.00824(16) 0.00590(16)
H1c4az3 -0.00109(3) 0.00005(3)
H1c4ax4 0.00861(11) -0.01129(14)
H1c4ay4 -0.0418(5) 0.0548(6)
H1c4az4 -0.00325(8) 0.00425(10)
H1c5ax1 0.00401(4) -0.00963(4)
H1c5ay1 -0.01164(16) -0.00499(16)
H1c5az1 -0.00644(3) 0.01010(3)
H1c5ax2 -0.00135(4) 0.00646(4)
H1c5ay2 -0.00316(16) 0.00098(16)
H1c5az2 0.00287(3) 0.00100(3)
H1c5ax3 -0.01850(4) -0.00158(4)
H1c5ay3 -0.00381(16) 0.00182(16)
H1c5az3 -0.00180(3) -0.00018(3)
H1c5ax4 0.01499(14) -0.01265(12)
H1c5ay4 -0.0310(6) 0.0261(5)
H1c5az4 -0.00233(10) 0.00196(8)
H1c6ax1 0.00155(4) -0.00942(4)
H1c6ay1 -0.00036(16) -0.00843(17)
H1c6az1 -0.00249(2) 0.00494(2)
H1c6ax2 0.00159(4) 0.00626(4)
H1c6ay2 -0.01363(16) 0.01022(16)
H1c6az2 0.00135(2) -0.00110(2)
H1c6ax3 -0.01659(4) 0.00827(4)
H1c6ay3 -0.00468(16) -0.00361(16)
H1c6az3 -0.00246(2) 0.00123(2)
H1c6ax4 0.00269(3) -0.0164(2)
H1c6ay4 0.00354(13) -0.0215(8)
H1c6az4 0.000034(19) -0.00021(12)
C1bx1 -0.00038(3) 0.00913(6)
C1by1 -0.02129(11) -0.01070(19)
C1bz1 0.003694(18) 0.00196(3)
C1bx2 -0.00658(6) -0.00117(3)
C1by2 0.02263(18) -0.02632(11)
C1bz2 -0.00607(3) 0.001504(19)
C1bx3 -0.00720(3) 0.00377(5)
C1by3 0.01258(12) 0.00770(18)
C1bz3 0.001220(19) -0.00130(3)
C2bx1 0.00064(3) 0.01004(6)
C2by1 0.00307(11) -0.00251(19)
C2bz1 0.006161(19) -0.00546(3)
C2bx2 -0.00732(5) 0.00033(4)
C2by2 0.00639(18) -0.01043(12)
C2bz2 -0.00278(3) 0.00074(2)
C2bx3 -0.00649(4) 0.00490(5)
C2by3 0.00954(13) 0.00444(18)
C2bz3 0.00115(2) -0.00005(3)
C3bx1 0.00275(3) 0.00073(4)
C3by1 0.01761(11) 0.00418(19)
C3bz1 0.00838(2) -0.00927(4)
C3bx2 -0.00259(4) -0.00261(2)
C3by2 -0.00509(18) 0.00628(11)
C3bz2 -0.00095(4) -0.00015(2)
C3bx3 -0.00762(2) 0.00504(4)
C3by3 0.00268(11) 0.00051(18)
C3bz3 0.00091(2) 0.00096(4)
C4bx1 0.00659(3) -0.00860(6)
C4by1 0.00632(11) 0.00235(18)
C4bz1 0.007978(18) -0.00525(3)
C4bx2 0.00411(5) -0.00389(3)
C4by2 -0.00325(18) 0.00408(11)
C4bz2 -0.00246(3) -0.000247(19)
C4bx3 -0.00993(3) 0.00317(5)
C4by3 0.00278(12) -0.00281(18)
C4bz3 0.000716(19) 0.00052(3)
C5bx1 0.00688(3) -0.00905(6)
C5by1 -0.01599(11) -0.01091(19)
C5bz1 0.003981(19) 0.00148(3)
C5bx2 0.00532(5) -0.00358(4)
C5by2 0.01716(18) -0.00520(12)
C5bz2 -0.00581(3) -0.00089(2)
C5bx3 -0.01035(4) 0.00160(5)
C5by3 0.00549(13) 0.00150(18)
C5bz3 0.00159(2) -0.00048(3)
C6bx1 0.00206(3) -0.00068(4)
C6by1 -0.03043(11) -0.01789(19)
C6bz1 0.00173(2) 0.00529(4)
C6bx2 -0.00026(4) -0.00384(2)
C6by2 0.03281(19) -0.01976(12)
C6bz2 -0.00787(4) -0.00002(3)
C6bx3 -0.00888(2) 0.00230(4)
C6by3 0.00862(12) 0.00790(19)
C6bz3 0.00191(2) -0.00145(4)
H1c3bx1 0.00309(2) 0.00114(4)
H1c3by1 0.03514(17) 0.0089(3)
H1c3bz1 0.00982(3) -0.01461(6)
H1c3bx2 -0.00323(4) -0.00199(3)
H1c3by2 -0.0145(3) 0.01908(17)
H1c3bz2 0.00127(6) -0.00097(4)
H1c3bx3 -0.00699(3) 0.00586(4)
H1c3by3 -0.00024(18) -0.0007(3)
H1c3bz3 0.00105(3) 0.00187(5)
H1c4bx1 0.01046(5) -0.01425(8)
H1c4by1 0.01471(16) 0.0090(3)
H1c4bz1 0.01007(2) -0.00736(4)
H1c4bx2 0.00814(7) -0.00317(5)
H1c4by2 -0.0162(3) 0.00982(17)
H1c4bz2 -0.00112(4) -0.00029(2)
H1c4bx3 -0.01118(5) 0.00230(7)
H1c4by3 0.00264(19) -0.0080(3)
H1c4bz3 0.00021(2) 0.00094(3)
H1c5bx1 0.01160(5) -0.01466(8)
H1c5by1 -0.02118(17) -0.0162(3)
H1c5bz1 0.00250(2) 0.00342(4)
H1c5bx2 0.00991(7) -0.00166(5)
H1c5by2 0.0197(3) -0.00128(19)
H1c5bz2 -0.00655(4) -0.00219(3)
H1c5bx3 -0.01152(6) -0.00056(6)
H1c5by3 0.0066(2) 0.0003(2)
H1c5bz3 0.00204(3) -0.00035(3)
H1c6bx1 0.00187(2) -0.00114(4)
H1c6by1 -0.04549(17) -0.0282(3)
H1c6bz1 -0.00134(3) 0.00985(6)
H1c6bx2 0.00060(4) -0.00403(3)
H1c6by2 0.0485(3) -0.02418(18)
H1c6bz2 -0.01024(6) -0.00077(4)
H1c6bx3 -0.00910(3) 0.00128(4)
H1c6by3 0.00940(18) 0.0114(3)
H1c6bz3 0.00267(4) -0.00204(5)

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
S1aU111 S1a U11 1
S1aU221 S1a U22 1
S1aU331 S1a U33 1
S1aU121 S1a U12 1
S1aU131 S1a U13 1
S1aU231 S1a U23 1
S1aU112 S1a U11 2
S1aU222 S1a U22 2
S1aU332 S1a U33 2
S1aU122 S1a U12 2
S1aU132 S1a U13 2
S1aU232 S1a U23 2
S1aU113 S1a U11 3
S1aU223 S1a U22 3
S1aU333 S1a U33 3
S1aU123 S1a U12 3
S1aU133 S1a U13 3
S1aU233 S1a U23 3
S1aU114 S1a U11 4
S1aU224 S1a U22 4
S1aU334 S1a U33 4
S1aU124 S1a U12 4
S1aU134 S1a U13 4
S1aU234 S1a U23 4
O1aU111 O1a U11 1
O1aU221 O1a U22 1
O1aU331 O1a U33 1
O1aU121 O1a U12 1
O1aU131 O1a U13 1
O1aU231 O1a U23 1
O1aU112 O1a U11 2
O1aU222 O1a U22 2
O1aU332 O1a U33 2
O1aU122 O1a U12 2
O1aU132 O1a U13 2
O1aU232 O1a U23 2
O1aU113 O1a U11 3
O1aU223 O1a U22 3
O1aU333 O1a U33 3
O1aU123 O1a U12 3
O1aU133 O1a U13 3
O1aU233 O1a U23 3
O1aU114 O1a U11 4
O1aU224 O1a U22 4
O1aU334 O1a U33 4
O1aU124 O1a U12 4
O1aU134 O1a U13 4
O1aU234 O1a U23 4
O2aU111 O2a U11 1
O2aU221 O2a U22 1
O2aU331 O2a U33 1
O2aU121 O2a U12 1
O2aU131 O2a U13 1
O2aU231 O2a U23 1
O2aU112 O2a U11 2
O2aU222 O2a U22 2
O2aU332 O2a U33 2
O2aU122 O2a U12 2
O2aU132 O2a U13 2
O2aU232 O2a U23 2
O2aU113 O2a U11 3
O2aU223 O2a U22 3
O2aU333 O2a U33 3
O2aU123 O2a U12 3
O2aU133 O2a U13 3
O2aU233 O2a U23 3
O2aU114 O2a U11 4
O2aU224 O2a U22 4
O2aU334 O2a U33 4
O2aU124 O2a U12 4
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N1aU223 N1a U22 3
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N1aU133 N1a U13 3
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N1aU114 N1a U11 4
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N1aU334 N1a U33 4
N1aU124 N1a U12 4
N1aU134 N1a U13 4
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C7aU331 C7a U33 1
C7aU121 C7a U12 1
C7aU131 C7a U13 1
C7aU231 C7a U23 1
C7aU112 C7a U11 2
C7aU222 C7a U22 2
C7aU332 C7a U33 2
C7aU122 C7a U12 2
C7aU132 C7a U13 2
C7aU232 C7a U23 2
C7aU113 C7a U11 3
C7aU223 C7a U22 3
C7aU333 C7a U33 3
C7aU123 C7a U12 3
C7aU133 C7a U13 3
C7aU233 C7a U23 3
C7aU114 C7a U11 4
C7aU224 C7a U22 4
C7aU334 C7a U33 4
C7aU124 C7a U12 4
C7aU134 C7a U13 4
C7aU234 C7a U23 4
S1bU111 S1b U11 1
S1bU221 S1b U22 1
S1bU331 S1b U33 1
S1bU121 S1b U12 1
S1bU131 S1b U13 1
S1bU231 S1b U23 1
S1bU112 S1b U11 2
S1bU222 S1b U22 2
S1bU332 S1b U33 2
S1bU122 S1b U12 2
S1bU132 S1b U13 2
S1bU232 S1b U23 2
S1bU113 S1b U11 3
S1bU223 S1b U22 3
S1bU333 S1b U33 3
S1bU123 S1b U12 3
S1bU133 S1b U13 3
S1bU233 S1b U23 3
S1b'U111 S1b' U11 1
S1b'U221 S1b' U22 1
S1b'U331 S1b' U33 1
S1b'U121 S1b' U12 1
S1b'U131 S1b' U13 1
S1b'U231 S1b' U23 1
S1b'U112 S1b' U11 2
S1b'U222 S1b' U22 2
S1b'U332 S1b' U33 2
S1b'U122 S1b' U12 2
S1b'U132 S1b' U13 2
S1b'U232 S1b' U23 2
S1b'U113 S1b' U11 3
S1b'U223 S1b' U22 3
S1b'U333 S1b' U33 3
S1b'U123 S1b' U12 3
S1b'U133 S1b' U13 3
S1b'U233 S1b' U23 3
S1b''U111 S1b'' U11 1
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S1b''U331 S1b'' U33 1
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S1b''U112 S1b'' U11 2
S1b''U222 S1b'' U22 2
S1b''U332 S1b'' U33 2
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S1b''U132 S1b'' U13 2
S1b''U232 S1b'' U23 2
S1b''U113 S1b'' U11 3
S1b''U223 S1b'' U22 3
S1b''U333 S1b'' U33 3
S1b''U123 S1b'' U12 3
S1b''U133 S1b'' U13 3
S1b''U233 S1b'' U23 3
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O1bU331 O1b U33 1
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O1bU131 O1b U13 1
O1bU231 O1b U23 1
O1bU112 O1b U11 2
O1bU222 O1b U22 2
O1bU332 O1b U33 2
O1bU122 O1b U12 2
O1bU132 O1b U13 2
O1bU232 O1b U23 2
O1bU113 O1b U11 3
O1bU223 O1b U22 3
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O1b'U221 O1b' U22 1
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O1b'U121 O1b' U12 1
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O1b'U112 O1b' U11 2
O1b'U222 O1b' U22 2
O1b'U332 O1b' U33 2
O1b'U122 O1b' U12 2
O1b'U132 O1b' U13 2
O1b'U232 O1b' U23 2
O1b'U113 O1b' U11 3
O1b'U223 O1b' U22 3
O1b'U333 O1b' U33 3
O1b'U123 O1b' U12 3
O1b'U133 O1b' U13 3
O1b'U233 O1b' U23 3
O1b''U111 O1b'' U11 1
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O1b''U331 O1b'' U33 1
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O1b''U112 O1b'' U11 2
O1b''U222 O1b'' U22 2
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O1b''U232 O1b'' U23 2
O1b''U113 O1b'' U11 3
O1b''U223 O1b'' U22 3
O1b''U333 O1b'' U33 3
O1b''U123 O1b'' U12 3
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O2bU231 O2b U23 1
O2bU112 O2b U11 2
O2bU222 O2b U22 2
O2bU332 O2b U33 2
O2bU122 O2b U12 2
O2bU132 O2b U13 2
O2bU232 O2b U23 2
O2bU113 O2b U11 3
O2bU223 O2b U22 3
O2bU333 O2b U33 3
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O2bU133 O2b U13 3
O2bU233 O2b U23 3
O2b'U111 O2b' U11 1
O2b'U221 O2b' U22 1
O2b'U331 O2b' U33 1
O2b'U121 O2b' U12 1
O2b'U131 O2b' U13 1
O2b'U231 O2b' U23 1
O2b'U112 O2b' U11 2
O2b'U222 O2b' U22 2
O2b'U332 O2b' U33 2
O2b'U122 O2b' U12 2
O2b'U132 O2b' U13 2
O2b'U232 O2b' U23 2
O2b'U113 O2b' U11 3
O2b'U223 O2b' U22 3
O2b'U333 O2b' U33 3
O2b'U123 O2b' U12 3
O2b'U133 O2b' U13 3
O2b'U233 O2b' U23 3
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O2b''U331 O2b'' U33 1
O2b''U121 O2b'' U12 1
O2b''U131 O2b'' U13 1
O2b''U231 O2b'' U23 1
O2b''U112 O2b'' U11 2
O2b''U222 O2b'' U22 2
O2b''U332 O2b'' U33 2
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O2b''U132 O2b'' U13 2
O2b''U232 O2b'' U23 2
O2b''U113 O2b'' U11 3
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O2b''U333 O2b'' U33 3
O2b''U123 O2b'' U12 3
O2b''U133 O2b'' U13 3
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O3bU231 O3b U23 1
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O3bU222 O3b U22 2
O3bU332 O3b U33 2
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O3bU132 O3b U13 2
O3bU232 O3b U23 2
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O3bU333 O3b U33 3
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O3bU133 O3b U13 3
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O3b'U131 O3b' U13 1
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O3b'U112 O3b' U11 2
O3b'U222 O3b' U22 2
O3b'U332 O3b' U33 2
O3b'U122 O3b' U12 2
O3b'U132 O3b' U13 2
O3b'U232 O3b' U23 2
O3b'U113 O3b' U11 3
O3b'U223 O3b' U22 3
O3b'U333 O3b' U33 3
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O3b''U331 O3b'' U33 1
O3b''U121 O3b'' U12 1
O3b''U131 O3b'' U13 1
O3b''U231 O3b'' U23 1
O3b''U112 O3b'' U11 2
O3b''U222 O3b'' U22 2
O3b''U332 O3b'' U33 2
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O3b''U232 O3b'' U23 2
O3b''U113 O3b'' U11 3
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O3b''U333 O3b'' U33 3
O3b''U123 O3b'' U12 3
O3b''U133 O3b'' U13 3
O3b''U233 O3b'' U23 3
N1bU111 N1b U11 1
N1bU221 N1b U22 1
N1bU331 N1b U33 1
N1bU121 N1b U12 1
N1bU131 N1b U13 1
N1bU231 N1b U23 1
N1bU112 N1b U11 2
N1bU222 N1b U22 2
N1bU332 N1b U33 2
N1bU122 N1b U12 2
N1bU132 N1b U13 2
N1bU232 N1b U23 2
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N1bU333 N1b U33 3
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N1bU133 N1b U13 3
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N1b'U331 N1b' U33 1
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N1b'U131 N1b' U13 1
N1b'U231 N1b' U23 1
N1b'U112 N1b' U11 2
N1b'U222 N1b' U22 2
N1b'U332 N1b' U33 2
N1b'U122 N1b' U12 2
N1b'U132 N1b' U13 2
N1b'U232 N1b' U23 2
N1b'U113 N1b' U11 3
N1b'U223 N1b' U22 3
N1b'U333 N1b' U33 3
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N1b'U133 N1b' U13 3
N1b'U233 N1b' U23 3
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N1b''U331 N1b'' U33 1
N1b''U121 N1b'' U12 1
N1b''U131 N1b'' U13 1
N1b''U231 N1b'' U23 1
N1b''U112 N1b'' U11 2
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N1b''U332 N1b'' U33 2
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N1b''U113 N1b'' U11 3
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N1b''U333 N1b'' U33 3
N1b''U123 N1b'' U12 3
N1b''U133 N1b'' U13 3
N1b''U233 N1b'' U23 3
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C7bU331 C7b U33 1
C7bU121 C7b U12 1
C7bU131 C7b U13 1
C7bU231 C7b U23 1
C7bU112 C7b U11 2
C7bU222 C7b U22 2
C7bU332 C7b U33 2
C7bU122 C7b U12 2
C7bU132 C7b U13 2
C7bU232 C7b U23 2
C7bU113 C7b U11 3
C7bU223 C7b U22 3
C7bU333 C7b U33 3
C7bU123 C7b U12 3
C7bU133 C7b U13 3
C7bU233 C7b U23 3
C7b'U111 C7b' U11 1
C7b'U221 C7b' U22 1
C7b'U331 C7b' U33 1
C7b'U121 C7b' U12 1
C7b'U131 C7b' U13 1
C7b'U231 C7b' U23 1
C7b'U112 C7b' U11 2
C7b'U222 C7b' U22 2
C7b'U332 C7b' U33 2
C7b'U122 C7b' U12 2
C7b'U132 C7b' U13 2
C7b'U232 C7b' U23 2
C7b'U113 C7b' U11 3
C7b'U223 C7b' U22 3
C7b'U333 C7b' U33 3
C7b'U123 C7b' U12 3
C7b'U133 C7b' U13 3
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O23wU133 O23w U13 3
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Na6U111 Na6 U11 1
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Na6U121 Na6 U12 1
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Na6U112 Na6 U11 2
Na6U222 Na6 U22 2
Na6U332 Na6 U33 2
Na6U122 Na6 U12 2
Na6U132 Na6 U13 2
Na6U232 Na6 U23 2
Na6U113 Na6 U11 3
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Na6U133 Na6 U13 3
Na6U233 Na6 U23 3
Na2U111 Na2 U11 1
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Na2U331 Na2 U33 1
Na2U121 Na2 U12 1
Na2U131 Na2 U13 1
Na2U231 Na2 U23 1
Na2U112 Na2 U11 2
Na2U222 Na2 U22 2
Na2U332 Na2 U33 2
Na2U122 Na2 U12 2
Na2U132 Na2 U13 2
Na2U232 Na2 U23 2
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C1aU222 C1a U22 2
C1aU332 C1a U33 2
C1aU122 C1a U12 2
C1aU132 C1a U13 2
C1aU232 C1a U23 2
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C1aU123 C1a U12 3
C1aU133 C1a U13 3
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C2aU121 C2a U12 1
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C2aU231 C2a U23 1
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C2aU222 C2a U22 2
C2aU332 C2a U33 2
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C2aU132 C2a U13 2
C2aU232 C2a U23 2
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C2aU123 C2a U12 3
C2aU133 C2a U13 3
C2aU233 C2a U23 3
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C3aU121 C3a U12 1
C3aU131 C3a U13 1
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C3aU222 C3a U22 2
C3aU332 C3a U33 2
C3aU122 C3a U12 2
C3aU132 C3a U13 2
C3aU232 C3a U23 2
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C3aU133 C3a U13 3
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C4aU222 C4a U22 2
C4aU332 C4a U33 2
C4aU122 C4a U12 2
C4aU132 C4a U13 2
C4aU232 C4a U23 2
C4aU113 C4a U11 3
C4aU223 C4a U22 3
C4aU333 C4a U33 3
C4aU123 C4a U12 3
C4aU133 C4a U13 3
C4aU233 C4a U23 3
C5aU111 C5a U11 1
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C5aU331 C5a U33 1
C5aU121 C5a U12 1
C5aU131 C5a U13 1
C5aU231 C5a U23 1
C5aU112 C5a U11 2
C5aU222 C5a U22 2
C5aU332 C5a U33 2
C5aU122 C5a U12 2
C5aU132 C5a U13 2
C5aU232 C5a U23 2
C5aU113 C5a U11 3
C5aU223 C5a U22 3
C5aU333 C5a U33 3
C5aU123 C5a U12 3
C5aU133 C5a U13 3
C5aU233 C5a U23 3
C6aU111 C6a U11 1
C6aU221 C6a U22 1
C6aU331 C6a U33 1
C6aU121 C6a U12 1
C6aU131 C6a U13 1
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C6aU222 C6a U22 2
C6aU332 C6a U33 2
C6aU122 C6a U12 2
C6aU132 C6a U13 2
C6aU232 C6a U23 2
C6aU113 C6a U11 3
C6aU223 C6a U22 3
C6aU333 C6a U33 3
C6aU123 C6a U12 3
C6aU133 C6a U13 3
C6aU233 C6a U23 3
H1c3aU111 H1c3a U11 1
H1c3aU221 H1c3a U22 1
H1c3aU331 H1c3a U33 1
H1c3aU121 H1c3a U12 1
H1c3aU131 H1c3a U13 1
H1c3aU231 H1c3a U23 1
H1c3aU112 H1c3a U11 2
H1c3aU222 H1c3a U22 2
H1c3aU332 H1c3a U33 2
H1c3aU122 H1c3a U12 2
H1c3aU132 H1c3a U13 2
H1c3aU232 H1c3a U23 2
H1c3aU113 H1c3a U11 3
H1c3aU223 H1c3a U22 3
H1c3aU333 H1c3a U33 3
H1c3aU123 H1c3a U12 3
H1c3aU133 H1c3a U13 3
H1c3aU233 H1c3a U23 3
H1c4aU111 H1c4a U11 1
H1c4aU221 H1c4a U22 1
H1c4aU331 H1c4a U33 1
H1c4aU121 H1c4a U12 1
H1c4aU131 H1c4a U13 1
H1c4aU231 H1c4a U23 1
H1c4aU112 H1c4a U11 2
H1c4aU222 H1c4a U22 2
H1c4aU332 H1c4a U33 2
H1c4aU122 H1c4a U12 2
H1c4aU132 H1c4a U13 2
H1c4aU232 H1c4a U23 2
H1c4aU113 H1c4a U11 3
H1c4aU223 H1c4a U22 3
H1c4aU333 H1c4a U33 3
H1c4aU123 H1c4a U12 3
H1c4aU133 H1c4a U13 3
H1c4aU233 H1c4a U23 3
H1c5aU111 H1c5a U11 1
H1c5aU221 H1c5a U22 1
H1c5aU331 H1c5a U33 1
H1c5aU121 H1c5a U12 1
H1c5aU131 H1c5a U13 1
H1c5aU231 H1c5a U23 1
H1c5aU112 H1c5a U11 2
H1c5aU222 H1c5a U22 2
H1c5aU332 H1c5a U33 2
H1c5aU122 H1c5a U12 2
H1c5aU132 H1c5a U13 2
H1c5aU232 H1c5a U23 2
H1c5aU113 H1c5a U11 3
H1c5aU223 H1c5a U22 3
H1c5aU333 H1c5a U33 3
H1c5aU123 H1c5a U12 3
H1c5aU133 H1c5a U13 3
H1c5aU233 H1c5a U23 3
H1c6aU111 H1c6a U11 1
H1c6aU221 H1c6a U22 1
H1c6aU331 H1c6a U33 1
H1c6aU121 H1c6a U12 1
H1c6aU131 H1c6a U13 1
H1c6aU231 H1c6a U23 1
H1c6aU112 H1c6a U11 2
H1c6aU222 H1c6a U22 2
H1c6aU332 H1c6a U33 2
H1c6aU122 H1c6a U12 2
H1c6aU132 H1c6a U13 2
H1c6aU232 H1c6a U23 2
H1c6aU113 H1c6a U11 3
H1c6aU223 H1c6a U22 3
H1c6aU333 H1c6a U33 3
H1c6aU123 H1c6a U12 3
H1c6aU133 H1c6a U13 3
H1c6aU233 H1c6a U23 3
C1bU111 C1b U11 1
C1bU221 C1b U22 1
C1bU331 C1b U33 1
C1bU121 C1b U12 1
C1bU131 C1b U13 1
C1bU231 C1b U23 1
C1bU112 C1b U11 2
C1bU222 C1b U22 2
C1bU332 C1b U33 2
C1bU122 C1b U12 2
C1bU132 C1b U13 2
C1bU232 C1b U23 2
C1bU113 C1b U11 3
C1bU223 C1b U22 3
C1bU333 C1b U33 3
C1bU123 C1b U12 3
C1bU133 C1b U13 3
C1bU233 C1b U23 3
C2bU111 C2b U11 1
C2bU221 C2b U22 1
C2bU331 C2b U33 1
C2bU121 C2b U12 1
C2bU131 C2b U13 1
C2bU231 C2b U23 1
C2bU112 C2b U11 2
C2bU222 C2b U22 2
C2bU332 C2b U33 2
C2bU122 C2b U12 2
C2bU132 C2b U13 2
C2bU232 C2b U23 2
C2bU113 C2b U11 3
C2bU223 C2b U22 3
C2bU333 C2b U33 3
C2bU123 C2b U12 3
C2bU133 C2b U13 3
C2bU233 C2b U23 3
C3bU111 C3b U11 1
C3bU221 C3b U22 1
C3bU331 C3b U33 1
C3bU121 C3b U12 1
C3bU131 C3b U13 1
C3bU231 C3b U23 1
C3bU112 C3b U11 2
C3bU222 C3b U22 2
C3bU332 C3b U33 2
C3bU122 C3b U12 2
C3bU132 C3b U13 2
C3bU232 C3b U23 2
C3bU113 C3b U11 3
C3bU223 C3b U22 3
C3bU333 C3b U33 3
C3bU123 C3b U12 3
C3bU133 C3b U13 3
C3bU233 C3b U23 3
C4bU111 C4b U11 1
C4bU221 C4b U22 1
C4bU331 C4b U33 1
C4bU121 C4b U12 1
C4bU131 C4b U13 1
C4bU231 C4b U23 1
C4bU112 C4b U11 2
C4bU222 C4b U22 2
C4bU332 C4b U33 2
C4bU122 C4b U12 2
C4bU132 C4b U13 2
C4bU232 C4b U23 2
C4bU113 C4b U11 3
C4bU223 C4b U22 3
C4bU333 C4b U33 3
C4bU123 C4b U12 3
C4bU133 C4b U13 3
C4bU233 C4b U23 3
C5bU111 C5b U11 1
C5bU221 C5b U22 1
C5bU331 C5b U33 1
C5bU121 C5b U12 1
C5bU131 C5b U13 1
C5bU231 C5b U23 1
C5bU112 C5b U11 2
C5bU222 C5b U22 2
C5bU332 C5b U33 2
C5bU122 C5b U12 2
C5bU132 C5b U13 2
C5bU232 C5b U23 2
C5bU113 C5b U11 3
C5bU223 C5b U22 3
C5bU333 C5b U33 3
C5bU123 C5b U12 3
C5bU133 C5b U13 3
C5bU233 C5b U23 3
C6bU111 C6b U11 1
C6bU221 C6b U22 1
C6bU331 C6b U33 1
C6bU121 C6b U12 1
C6bU131 C6b U13 1
C6bU231 C6b U23 1
C6bU112 C6b U11 2
C6bU222 C6b U22 2
C6bU332 C6b U33 2
C6bU122 C6b U12 2
C6bU132 C6b U13 2
C6bU232 C6b U23 2
C6bU113 C6b U11 3
C6bU223 C6b U22 3
C6bU333 C6b U33 3
C6bU123 C6b U12 3
C6bU133 C6b U13 3
C6bU233 C6b U23 3
H1c3bU111 H1c3b U11 1
H1c3bU221 H1c3b U22 1
H1c3bU331 H1c3b U33 1
H1c3bU121 H1c3b U12 1
H1c3bU131 H1c3b U13 1
H1c3bU231 H1c3b U23 1
H1c3bU112 H1c3b U11 2
H1c3bU222 H1c3b U22 2
H1c3bU332 H1c3b U33 2
H1c3bU122 H1c3b U12 2
H1c3bU132 H1c3b U13 2
H1c3bU232 H1c3b U23 2
H1c3bU113 H1c3b U11 3
H1c3bU223 H1c3b U22 3
H1c3bU333 H1c3b U33 3
H1c3bU123 H1c3b U12 3
H1c3bU133 H1c3b U13 3
H1c3bU233 H1c3b U23 3
H1c4bU111 H1c4b U11 1
H1c4bU221 H1c4b U22 1
H1c4bU331 H1c4b U33 1
H1c4bU121 H1c4b U12 1
H1c4bU131 H1c4b U13 1
H1c4bU231 H1c4b U23 1
H1c4bU112 H1c4b U11 2
H1c4bU222 H1c4b U22 2
H1c4bU332 H1c4b U33 2
H1c4bU122 H1c4b U12 2
H1c4bU132 H1c4b U13 2
H1c4bU232 H1c4b U23 2
H1c4bU113 H1c4b U11 3
H1c4bU223 H1c4b U22 3
H1c4bU333 H1c4b U33 3
H1c4bU123 H1c4b U12 3
H1c4bU133 H1c4b U13 3
H1c4bU233 H1c4b U23 3
H1c5bU111 H1c5b U11 1
H1c5bU221 H1c5b U22 1
H1c5bU331 H1c5b U33 1
H1c5bU121 H1c5b U12 1
H1c5bU131 H1c5b U13 1
H1c5bU231 H1c5b U23 1
H1c5bU112 H1c5b U11 2
H1c5bU222 H1c5b U22 2
H1c5bU332 H1c5b U33 2
H1c5bU122 H1c5b U12 2
H1c5bU132 H1c5b U13 2
H1c5bU232 H1c5b U23 2
H1c5bU113 H1c5b U11 3
H1c5bU223 H1c5b U22 3
H1c5bU333 H1c5b U33 3
H1c5bU123 H1c5b U12 3
H1c5bU133 H1c5b U13 3
H1c5bU233 H1c5b U23 3
H1c6bU111 H1c6b U11 1
H1c6bU221 H1c6b U22 1
H1c6bU331 H1c6b U33 1
H1c6bU121 H1c6b U12 1
H1c6bU131 H1c6b U13 1
H1c6bU231 H1c6b U23 1
H1c6bU112 H1c6b U11 2
H1c6bU222 H1c6b U22 2
H1c6bU332 H1c6b U33 2
H1c6bU122 H1c6b U12 2
H1c6bU132 H1c6b U13 2
H1c6bU232 H1c6b U23 2
H1c6bU113 H1c6b U11 3
H1c6bU223 H1c6b U22 3
H1c6bU333 H1c6b U33 3
H1c6bU123 H1c6b U12 3
H1c6bU133 H1c6b U13 3
H1c6bU233 H1c6b U23 3

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
S1aU111 -0.00111(12) 0.00116(12)
S1aU221 0.00383(18) 0.00785(18)
S1aU331 -0.00090(15) 0.00020(14)
S1aU121 0.00092(11) 0.00016(11)
S1aU131 -0.00084(10) 0.00331(10)
S1aU231 -0.00004(12) -0.00173(13)
S1aU112 -0.00105(12) -0.00143(12)
S1aU222 -0.00333(18) 0.00493(18)
S1aU332 -0.00182(14) -0.00201(15)
S1aU122 0.00030(11) -0.00187(11)
S1aU132 -0.00020(10) -0.00137(11)
S1aU232 0.00084(13) -0.00258(12)
S1aU113 -0.00090(12) -0.00074(12)
S1aU223 -0.00297(18) -0.00112(18)
S1aU333 0.00232(16) -0.00220(14)
S1aU123 0.00168(12) 0.00084(11)
S1aU133 0.00179(11) -0.00129(10)
S1aU233 0.00264(13) 0.00175(13)
S1aU114 0 0.00113(10)
S1aU224 0 0.00064(15)
S1aU334 0 0.00232(12)
S1aU124 0 0.00028(9)
S1aU134 0 0.00152(8)
S1aU234 0 0.00057(10)
O1aU111 0.0006(4) -0.0005(4)
O1aU221 -0.0036(6) 0.0127(6)
O1aU331 -0.0003(5) -0.0003(5)
O1aU121 -0.0005(4) 0.0039(4)
O1aU131 0.0003(4) 0.0016(4)
O1aU231 0.0020(4) -0.0024(5)
O1aU112 -0.0017(4) -0.0009(4)
O1aU222 -0.0094(6) -0.0037(6)
O1aU332 0.0025(5) -0.0034(5)
O1aU122 -0.0034(4) -0.0013(4)
O1aU132 0.0032(4) 0.0008(4)
O1aU232 0.0042(5) 0.0014(5)
O1aU113 0.0013(4) 0.0005(4)
O1aU223 0.0068(6) -0.0043(6)
O1aU333 0.0003(5) 0.0047(5)
O1aU123 0.0017(4) -0.0009(4)
O1aU133 -0.0024(4) 0.0035(4)
O1aU233 -0.0053(5) 0.0019(4)
O1aU114 0 0.0000(3)
O1aU224 0 -0.0019(5)
O1aU334 0 -0.0018(4)
O1aU124 0 -0.0003(3)
O1aU134 0 -0.0016(3)
O1aU234 0 -0.0017(4)
O2aU111 0.0020(5) 0.0020(4)
O2aU221 0.0110(6) 0.0042(6)
O2aU331 0.0008(5) 0.0027(5)
O2aU121 -0.0061(4) -0.0007(4)
O2aU131 0.0012(4) 0.0048(4)
O2aU231 -0.0044(4) -0.0002(4)
O2aU112 0.0020(4) 0.0025(4)
O2aU222 0.0089(6) 0.0058(6)
O2aU332 -0.0018(5) 0.0009(5)
O2aU122 -0.0078(4) -0.0027(4)
O2aU132 0.0005(4) 0.0011(4)
O2aU232 -0.0059(4) 0.0000(4)
O2aU113 0.0019(4) 0.0058(5)
O2aU223 0.0031(6) 0.0073(6)
O2aU333 -0.0052(5) -0.0014(5)
O2aU123 -0.0026(4) -0.0065(4)
O2aU133 -0.0021(4) 0.0008(4)
O2aU233 -0.0010(4) -0.0026(4)
O2aU114 0 -0.0024(3)
O2aU224 0 0.0012(5)
O2aU334 0 -0.0037(4)
O2aU124 0 -0.0001(3)
O2aU134 0 -0.0026(3)
O2aU234 0 0.0005(3)
O3aU111 0.0021(4) -0.0040(4)
O3aU221 0.0021(6) 0.0176(6)
O3aU331 0.0009(4) 0.0008(4)
O3aU121 0.0081(4) 0.0005(4)
O3aU131 0.0007(3) 0.0034(3)
O3aU231 0.0051(4) -0.0001(4)
O3aU112 -0.0070(4) 0.0042(4)
O3aU222 -0.0030(6) -0.0010(6)
O3aU332 -0.0022(4) -0.0004(4)
O3aU122 0.0014(4) -0.0004(4)
O3aU132 -0.0020(3) 0.0014(3)
O3aU232 0.0015(4) -0.0010(4)
O3aU113 0.0005(4) 0.0016(4)
O3aU223 0.0017(6) 0.0015(6)
O3aU333 0.0003(5) -0.0023(4)
O3aU123 -0.0008(4) 0.0010(4)
O3aU133 0.0012(4) -0.0004(3)
O3aU233 -0.0003(4) 0.0016(4)
O3aU114 0 0.0008(3)
O3aU224 0 -0.0005(4)
O3aU334 0 0.0014(3)
O3aU124 0 -0.0006(3)
O3aU134 0 0.0004(2)
O3aU234 0 -0.0011(3)
N1aU111 -0.0001(4) -0.0005(4)
N1aU221 0.0056(6) 0.0049(7)
N1aU331 -0.0013(5) 0.0003(5)
N1aU121 0.0050(4) 0.0012(4)
N1aU131 -0.0010(4) 0.0034(3)
N1aU231 0.0018(4) -0.0012(4)
N1aU112 -0.0033(4) 0.0009(4)
N1aU222 0.0002(7) 0.0036(7)
N1aU332 -0.0019(5) -0.0009(5)
N1aU122 0.0006(4) -0.0008(4)
N1aU132 0.0006(3) -0.0003(4)
N1aU232 0.0012(4) -0.0028(4)
N1aU113 -0.0014(4) -0.0003(4)
N1aU223 -0.0004(6) -0.0013(7)
N1aU333 0.0006(5) -0.0034(5)
N1aU123 0.0010(4) 0.0007(4)
N1aU133 0.0004(4) -0.0019(3)
N1aU233 0.0010(5) 0.0026(4)
N1aU114 0 0.0009(3)
N1aU224 0 0.0018(5)
N1aU334 0 0.0018(4)
N1aU124 0 -0.0002(3)
N1aU134 0 0.0008(3)
N1aU234 0 -0.0010(3)
C7aU111 0.0015(5) -0.0018(5)
C7aU221 0.0011(6) 0.0046(6)
C7aU331 0.0001(6) 0.0012(5)
C7aU121 0.0040(4) 0.0027(4)
C7aU131 0.0010(4) 0.0018(4)
C7aU231 0.0028(5) 0.0009(5)
C7aU112 -0.0030(5) 0.0022(5)
C7aU222 0.0003(7) -0.0012(7)
C7aU332 -0.0019(6) -0.0009(6)
C7aU122 0.0020(4) -0.0015(4)
C7aU132 -0.0008(4) 0.0008(4)
C7aU232 0.0004(5) -0.0004(5)
C7aU113 -0.0011(5) 0.0014(5)
C7aU223 0.0001(7) -0.0015(7)
C7aU333 0.0022(6) -0.0021(6)
C7aU123 0.0007(4) 0.0003(4)
C7aU133 0.0006(4) -0.0001(4)
C7aU233 0.0003(5) 0.0011(5)
C7aU114 0 0.0004(4)
C7aU224 0 0.0005(5)
C7aU334 0 0.0013(5)
C7aU124 0 -0.0001(3)
C7aU134 0 0.0006(3)
C7aU234 0 -0.0003(4)
S1bU111 0.00027(12) 0.00826(18)
S1bU221 -0.00109(16) 0.00114(19)
S1bU331 -0.00022(15) 0.00598(19)
S1bU121 -0.00373(10) 0.00237(17)
S1bU131 -0.00138(11) 0.01139(17)
S1bU231 -0.00378(12) 0.00039(16)
S1bU112 -0.00557(17) 0.00629(14)
S1bU222 -0.0007(2) -0.00053(16)
S1bU332 -0.00504(19) 0.00064(15)
S1bU122 -0.00264(16) -0.00029(12)
S1bU132 -0.00474(16) 0.00247(12)
S1bU232 -0.00252(16) -0.00100(12)
S1bU113 -0.00471(14) -0.00520(17)
S1bU223 0.00094(17) -0.0001(2)
S1bU333 0.00296(16) -0.0030(2)
S1bU123 0.00196(13) -0.00409(15)
S1bU133 -0.00269(13) -0.00338(15)
S1bU233 0.00240(13) -0.00166(16)
S1b'U111 0.00027(12) 0.00826(18)
S1b'U221 -0.00109(16) 0.00114(19)
S1b'U331 -0.00022(15) 0.00598(19)
S1b'U121 -0.00373(10) 0.00237(17)
S1b'U131 -0.00138(11) 0.01139(17)
S1b'U231 -0.00378(12) 0.00039(16)
S1b'U112 -0.00557(17) 0.00629(14)
S1b'U222 -0.0007(2) -0.00053(16)
S1b'U332 -0.00504(19) 0.00064(15)
S1b'U122 -0.00264(16) -0.00029(12)
S1b'U132 -0.00474(16) 0.00247(12)
S1b'U232 -0.00252(16) -0.00100(12)
S1b'U113 -0.00471(14) -0.00520(17)
S1b'U223 0.00094(17) -0.0001(2)
S1b'U333 0.00296(16) -0.0030(2)
S1b'U123 0.00196(13) -0.00409(15)
S1b'U133 -0.00269(13) -0.00338(15)
S1b'U233 0.00240(13) -0.00166(16)
S1b''U111 0.00027(12) 0.00826(18)
S1b''U221 -0.00109(16) 0.00114(19)
S1b''U331 -0.00022(15) 0.00598(19)
S1b''U121 -0.00373(10) 0.00237(17)
S1b''U131 -0.00138(11) 0.01139(17)
S1b''U231 -0.00378(12) 0.00039(16)
S1b''U112 -0.00557(17) 0.00629(14)
S1b''U222 -0.0007(2) -0.00053(16)
S1b''U332 -0.00504(19) 0.00064(15)
S1b''U122 -0.00264(16) -0.00029(12)
S1b''U132 -0.00474(16) 0.00247(12)
S1b''U232 -0.00252(16) -0.00100(12)
S1b''U113 -0.00471(14) -0.00520(17)
S1b''U223 0.00094(17) -0.0001(2)
S1b''U333 0.00296(16) -0.0030(2)
S1b''U123 0.00196(13) -0.00409(15)
S1b''U133 -0.00269(13) -0.00338(15)
S1b''U233 0.00240(13) -0.00166(16)
O1bU111 0.0139(6) 0.0084(5)
O1bU221 -0.0063(7) 0.0014(7)
O1bU331 0.0093(8) 0.0130(8)
O1bU121 0.0021(5) 0.0071(5)
O1bU131 0.0174(6) 0.0181(5)
O1bU231 -0.0002(6) 0.0064(6)
O1bU112 0.0059(5) 0.0082(7)
O1bU222 -0.0001(6) -0.0040(8)
O1bU332 -0.0014(6) 0.0106(9)
O1bU122 -0.0023(4) 0.0065(6)
O1bU132 0.0020(4) 0.0087(6)
O1bU232 0.0017(5) 0.0084(7)
O1bU113 -0.0009(4) 0.0056(7)
O1bU223 -0.0023(6) 0.0002(9)
O1bU333 -0.0097(6) 0.0038(9)
O1bU123 -0.0041(4) 0.0009(6)
O1bU133 -0.0015(4) 0.0058(6)
O1bU233 -0.0056(5) 0.0061(7)
O1b'U111 0.0139(6) 0.0084(5)
O1b'U221 -0.0063(7) 0.0014(7)
O1b'U331 0.0093(8) 0.0130(8)
O1b'U121 0.0021(5) 0.0071(5)
O1b'U131 0.0174(6) 0.0181(5)
O1b'U231 -0.0002(6) 0.0064(6)
O1b'U112 0.0059(5) 0.0082(7)
O1b'U222 -0.0001(6) -0.0040(8)
O1b'U332 -0.0014(6) 0.0106(9)
O1b'U122 -0.0023(4) 0.0065(6)
O1b'U132 0.0020(4) 0.0087(6)
O1b'U232 0.0017(5) 0.0084(7)
O1b'U113 -0.0009(4) 0.0056(7)
O1b'U223 -0.0023(6) 0.0002(9)
O1b'U333 -0.0097(6) 0.0038(9)
O1b'U123 -0.0041(4) 0.0009(6)
O1b'U133 -0.0015(4) 0.0058(6)
O1b'U233 -0.0056(5) 0.0061(7)
O1b''U111 0.0139(6) 0.0084(5)
O1b''U221 -0.0063(7) 0.0014(7)
O1b''U331 0.0093(8) 0.0130(8)
O1b''U121 0.0021(5) 0.0071(5)
O1b''U131 0.0174(6) 0.0181(5)
O1b''U231 -0.0002(6) 0.0064(6)
O1b''U112 0.0059(5) 0.0082(7)
O1b''U222 -0.0001(6) -0.0040(8)
O1b''U332 -0.0014(6) 0.0106(9)
O1b''U122 -0.0023(4) 0.0065(6)
O1b''U132 0.0020(4) 0.0087(6)
O1b''U232 0.0017(5) 0.0084(7)
O1b''U113 -0.0009(4) 0.0056(7)
O1b''U223 -0.0023(6) 0.0002(9)
O1b''U333 -0.0097(6) 0.0038(9)
O1b''U123 -0.0041(4) 0.0009(6)
O1b''U133 -0.0015(4) 0.0058(6)
O1b''U233 -0.0056(5) 0.0061(7)
O2bU111 -0.0100(5) 0.0014(6)
O2bU221 0.0016(6) 0.0005(7)
O2bU331 -0.0021(7) 0.0069(8)
O2bU121 -0.0015(4) -0.0057(5)
O2bU131 -0.0141(5) 0.0104(5)
O2bU231 -0.0027(5) -0.0038(6)
O2bU112 -0.0174(5) -0.0129(6)
O2bU222 -0.0046(6) -0.0022(8)
O2bU332 -0.0120(6) -0.0077(8)
O2bU122 -0.0046(4) -0.0027(5)
O2bU132 -0.0143(5) -0.0110(5)
O2bU232 0.0003(5) -0.0021(6)
O2bU113 0.0187(7) 0.0066(4)
O2bU223 -0.0017(9) 0.0014(5)
O2bU333 0.0043(9) 0.0030(5)
O2bU123 0.0020(6) 0.0061(4)
O2bU133 0.0136(6) 0.0020(4)
O2bU233 -0.0001(7) 0.0026(4)
O2b'U111 -0.0100(5) 0.0014(6)
O2b'U221 0.0016(6) 0.0005(7)
O2b'U331 -0.0021(7) 0.0069(8)
O2b'U121 -0.0015(4) -0.0057(5)
O2b'U131 -0.0141(5) 0.0104(5)
O2b'U231 -0.0027(5) -0.0038(6)
O2b'U112 -0.0174(5) -0.0129(6)
O2b'U222 -0.0046(6) -0.0022(8)
O2b'U332 -0.0120(6) -0.0077(8)
O2b'U122 -0.0046(4) -0.0027(5)
O2b'U132 -0.0143(5) -0.0110(5)
O2b'U232 0.0003(5) -0.0021(6)
O2b'U113 0.0187(7) 0.0066(4)
O2b'U223 -0.0017(9) 0.0014(5)
O2b'U333 0.0043(9) 0.0030(5)
O2b'U123 0.0020(6) 0.0061(4)
O2b'U133 0.0136(6) 0.0020(4)
O2b'U233 -0.0001(7) 0.0026(4)
O2b''U111 -0.0100(5) 0.0014(6)
O2b''U221 0.0016(6) 0.0005(7)
O2b''U331 -0.0021(7) 0.0069(8)
O2b''U121 -0.0015(4) -0.0057(5)
O2b''U131 -0.0141(5) 0.0104(5)
O2b''U231 -0.0027(5) -0.0038(6)
O2b''U112 -0.0174(5) -0.0129(6)
O2b''U222 -0.0046(6) -0.0022(8)
O2b''U332 -0.0120(6) -0.0077(8)
O2b''U122 -0.0046(4) -0.0027(5)
O2b''U132 -0.0143(5) -0.0110(5)
O2b''U232 0.0003(5) -0.0021(6)
O2b''U113 0.0187(7) 0.0066(4)
O2b''U223 -0.0017(9) 0.0014(5)
O2b''U333 0.0043(9) 0.0030(5)
O2b''U123 0.0020(6) 0.0061(4)
O2b''U133 0.0136(6) 0.0020(4)
O2b''U233 -0.0001(7) 0.0026(4)
O3bU111 -0.0021(4) 0.0028(4)
O3bU221 0.0002(6) 0.0182(8)
O3bU331 0.0120(6) 0.0222(7)
O3bU121 -0.0043(4) 0.0048(4)
O3bU131 -0.0012(4) -0.0006(4)
O3bU231 -0.0070(4) -0.0007(5)
O3bU112 0.0003(4) 0.0000(4)
O3bU222 -0.0047(7) 0.0077(7)
O3bU332 -0.0072(6) 0.0196(7)
O3bU122 0.0015(4) -0.0067(4)
O3bU132 -0.0013(4) -0.0047(4)
O3bU232 -0.0055(5) 0.0033(5)
O3bU113 -0.0027(4) 0.0011(4)
O3bU223 -0.0056(7) -0.0029(6)
O3bU333 -0.0098(7) -0.0048(6)
O3bU123 0.0047(4) 0.0024(4)
O3bU133 0.0030(4) -0.0010(4)
O3bU233 -0.0071(5) -0.0105(4)
O3b'U111 -0.0021(4) 0.0028(4)
O3b'U221 0.0002(6) 0.0182(8)
O3b'U331 0.0120(6) 0.0222(7)
O3b'U121 -0.0043(4) 0.0048(4)
O3b'U131 -0.0012(4) -0.0006(4)
O3b'U231 -0.0070(4) -0.0007(5)
O3b'U112 0.0003(4) 0.0000(4)
O3b'U222 -0.0047(7) 0.0077(7)
O3b'U332 -0.0072(6) 0.0196(7)
O3b'U122 0.0015(4) -0.0067(4)
O3b'U132 -0.0013(4) -0.0047(4)
O3b'U232 -0.0055(5) 0.0033(5)
O3b'U113 -0.0027(4) 0.0011(4)
O3b'U223 -0.0056(7) -0.0029(6)
O3b'U333 -0.0098(7) -0.0048(6)
O3b'U123 0.0047(4) 0.0024(4)
O3b'U133 0.0030(4) -0.0010(4)
O3b'U233 -0.0071(5) -0.0105(4)
O3b''U111 -0.0021(4) 0.0028(4)
O3b''U221 0.0002(6) 0.0182(8)
O3b''U331 0.0120(6) 0.0222(7)
O3b''U121 -0.0043(4) 0.0048(4)
O3b''U131 -0.0012(4) -0.0006(4)
O3b''U231 -0.0070(4) -0.0007(5)
O3b''U112 0.0003(4) 0.0000(4)
O3b''U222 -0.0047(7) 0.0077(7)
O3b''U332 -0.0072(6) 0.0196(7)
O3b''U122 0.0015(4) -0.0067(4)
O3b''U132 -0.0013(4) -0.0047(4)
O3b''U232 -0.0055(5) 0.0033(5)
O3b''U113 -0.0027(4) 0.0011(4)
O3b''U223 -0.0056(7) -0.0029(6)
O3b''U333 -0.0098(7) -0.0048(6)
O3b''U123 0.0047(4) 0.0024(4)
O3b''U133 0.0030(4) -0.0010(4)
O3b''U233 -0.0071(5) -0.0105(4)
N1bU111 -0.0010(5) 0.0108(6)
N1bU221 0.0017(6) 0.0021(8)
N1bU331 0.0027(5) 0.0041(7)
N1bU121 -0.0051(4) 0.0014(5)
N1bU131 -0.0042(4) 0.0003(5)
N1bU231 -0.0012(4) 0.0032(6)
N1bU112 -0.0019(6) 0.0075(6)
N1bU222 -0.0043(8) 0.0035(7)
N1bU332 -0.0036(6) 0.0041(6)
N1bU122 0.0018(5) -0.0057(5)
N1bU132 0.0005(5) -0.0044(4)
N1bU232 -0.0037(5) 0.0024(5)
N1bU113 -0.0063(6) -0.0019(5)
N1bU223 -0.0022(8) -0.0031(7)
N1bU333 0.0002(6) -0.0026(6)
N1bU123 0.0059(5) -0.0022(5)
N1bU133 0.0031(5) 0.0000(4)
N1bU233 -0.0023(5) -0.0045(5)
N1b'U111 -0.0010(5) 0.0108(6)
N1b'U221 0.0017(6) 0.0021(8)
N1b'U331 0.0027(5) 0.0041(7)
N1b'U121 -0.0051(4) 0.0014(5)
N1b'U131 -0.0042(4) 0.0003(5)
N1b'U231 -0.0012(4) 0.0032(6)
N1b'U112 -0.0019(6) 0.0075(6)
N1b'U222 -0.0043(8) 0.0035(7)
N1b'U332 -0.0036(6) 0.0041(6)
N1b'U122 0.0018(5) -0.0057(5)
N1b'U132 0.0005(5) -0.0044(4)
N1b'U232 -0.0037(5) 0.0024(5)
N1b'U113 -0.0063(6) -0.0019(5)
N1b'U223 -0.0022(8) -0.0031(7)
N1b'U333 0.0002(6) -0.0026(6)
N1b'U123 0.0059(5) -0.0022(5)
N1b'U133 0.0031(5) 0.0000(4)
N1b'U233 -0.0023(5) -0.0045(5)
N1b''U111 -0.0010(5) 0.0108(6)
N1b''U221 0.0017(6) 0.0021(8)
N1b''U331 0.0027(5) 0.0041(7)
N1b''U121 -0.0051(4) 0.0014(5)
N1b''U131 -0.0042(4) 0.0003(5)
N1b''U231 -0.0012(4) 0.0032(6)
N1b''U112 -0.0019(6) 0.0075(6)
N1b''U222 -0.0043(8) 0.0035(7)
N1b''U332 -0.0036(6) 0.0041(6)
N1b''U122 0.0018(5) -0.0057(5)
N1b''U132 0.0005(5) -0.0044(4)
N1b''U232 -0.0037(5) 0.0024(5)
N1b''U113 -0.0063(6) -0.0019(5)
N1b''U223 -0.0022(8) -0.0031(7)
N1b''U333 0.0002(6) -0.0026(6)
N1b''U123 0.0059(5) -0.0022(5)
N1b''U133 0.0031(5) 0.0000(4)
N1b''U233 -0.0023(5) -0.0045(5)
C7bU111 -0.0033(5) -0.0003(6)
C7bU221 0.0006(6) 0.0085(8)
C7bU331 0.0070(6) 0.0101(9)
C7bU121 0.0000(4) 0.0027(5)
C7bU131 -0.0009(5) -0.0022(5)
C7bU231 -0.0038(5) -0.0012(6)
C7bU112 0.0018(6) 0.0002(5)
C7bU222 -0.0043(7) 0.0046(7)
C7bU332 -0.0051(8) 0.0090(7)
C7bU122 0.0008(5) -0.0025(5)
C7bU132 0.0017(5) -0.0048(5)
C7bU232 -0.0032(6) 0.0001(5)
C7bU113 0.0003(6) 0.0004(6)
C7bU223 -0.0030(8) -0.0028(7)
C7bU333 -0.0046(8) -0.0037(7)
C7bU123 0.0027(5) 0.0015(5)
C7bU133 0.0039(5) 0.0017(5)
C7bU233 0.0001(6) -0.0037(5)
C7b'U111 -0.0033(5) -0.0003(6)
C7b'U221 0.0006(6) 0.0085(8)
C7b'U331 0.0070(6) 0.0101(9)
C7b'U121 0.0000(4) 0.0027(5)
C7b'U131 -0.0009(5) -0.0022(5)
C7b'U231 -0.0038(5) -0.0012(6)
C7b'U112 0.0018(6) 0.0002(5)
C7b'U222 -0.0043(7) 0.0046(7)
C7b'U332 -0.0051(8) 0.0090(7)
C7b'U122 0.0008(5) -0.0025(5)
C7b'U132 0.0017(5) -0.0048(5)
C7b'U232 -0.0032(6) 0.0001(5)
C7b'U113 0.0003(6) 0.0004(6)
C7b'U223 -0.0030(8) -0.0028(7)
C7b'U333 -0.0046(8) -0.0037(7)
C7b'U123 0.0027(5) 0.0015(5)
C7b'U133 0.0039(5) 0.0017(5)
C7b'U233 0.0001(6) -0.0037(5)
C7b''U111 -0.0033(5) -0.0003(6)
C7b''U221 0.0006(6) 0.0085(8)
C7b''U331 0.0070(6) 0.0101(9)
C7b''U121 0.0000(4) 0.0027(5)
C7b''U131 -0.0009(5) -0.0022(5)
C7b''U231 -0.0038(5) -0.0012(6)
C7b''U112 0.0018(6) 0.0002(5)
C7b''U222 -0.0043(7) 0.0046(7)
C7b''U332 -0.0051(8) 0.0090(7)
C7b''U122 0.0008(5) -0.0025(5)
C7b''U132 0.0017(5) -0.0048(5)
C7b''U232 -0.0032(6) 0.0001(5)
C7b''U113 0.0003(6) 0.0004(6)
C7b''U223 -0.0030(8) -0.0028(7)
C7b''U333 -0.0046(8) -0.0037(7)
C7b''U123 0.0027(5) 0.0015(5)
C7b''U133 0.0039(5) 0.0017(5)
C7b''U233 0.0001(6) -0.0037(5)
O28wU111 0.0285(8) 0.0009(5)
O28wU221 0.0154(9) -0.0023(7)
O28wU331 0.0242(9) -0.0056(7)
O28wU121 0.0079(6) 0.0072(5)
O28wU131 0.0025(7) 0.0018(5)
O28wU231 0.0004(7) 0.0000(6)
O28wU112 0.0082(5) -0.0146(7)
O28wU222 0.0013(6) 0.0002(9)
O28wU332 0.0063(6) -0.0264(9)
O28wU122 0.0031(4) 0.0020(6)
O28wU132 -0.0012(5) -0.0048(6)
O28wU232 0.0002(5) -0.0015(7)
O28wU113 0.0035(4) -0.0126(7)
O28wU223 -0.0009(6) 0.0009(9)
O28wU333 0.0022(6) -0.0261(9)
O28wU123 0.0013(4) -0.0045(6)
O28wU133 0.0016(4) -0.0101(6)
O28wU233 -0.0013(5) -0.0002(7)
O18wU111 0.039(3) -0.0158(14)
O18wU221 0.011(4) 0.0001(18)
O18wU331 0.020(4) -0.0098(18)
O18wU121 -0.011(3) 0.0057(12)
O18wU131 0.012(3) -0.0132(12)
O18wU231 -0.010(3) 0.0009(14)
O18wU112 0.0129(16) -0.0162(19)
O18wU222 0.005(2) -0.005(3)
O18wU332 0.006(2) -0.011(2)
O18wU122 -0.0040(14) 0.0096(17)
O18wU132 0.0013(14) -0.0122(17)
O18wU232 -0.0018(17) 0.004(2)
O18wU113 0 -0.0096(14)
O18wU223 0 -0.0038(19)
O18wU333 0 -0.0094(18)
O18wU123 0 0.0076(12)
O18wU133 0 -0.0066(12)
O18wU233 0 0.0038(14)
O24wU111 -0.0007(7) -0.0132(11)
O24wU221 0.0045(7) 0.0037(11)
O24wU331 -0.0039(7) 0.0143(12)
O24wU121 0.0058(5) -0.0040(9)
O24wU131 0.0009(5) 0.0013(9)
O24wU231 0.0043(5) 0.0104(9)
O24wU112 0.0017(10) -0.0068(7)
O24wU222 0.0013(11) -0.0002(8)
O24wU332 -0.0113(11) -0.0076(8)
O24wU122 0.0015(8) 0.0049(6)
O24wU132 0.0053(8) 0.0038(6)
O24wU232 -0.0064(9) -0.0026(6)
O24wU113 -0.0027(9) 0.0073(9)
O24wU223 0.0008(9) 0.0026(9)
O24wU333 0.0010(9) -0.0019(10)
O24wU123 -0.0025(7) 0.0029(7)
O24wU133 0.0024(7) -0.0022(7)
O24wU233 0.0061(7) -0.0036(7)
O23wU111 0.0015(5) -0.0031(14)
O23wU221 0.0015(7) -0.0037(19)
O23wU331 -0.0012(7) 0.0023(18)
O23wU121 -0.0044(5) -0.0027(13)
O23wU131 -0.0001(5) 0.0004(13)
O23wU231 0.0025(5) -0.0043(15)
O23wU112 -0.0046(11) -0.0031(6)
O23wU222 0.0032(15) 0.0017(9)
O23wU332 0.0032(13) 0.0003(8)
O23wU122 -0.0003(10) -0.0025(6)
O23wU132 -0.0013(9) -0.0011(6)
O23wU232 0.0022(11) 0.0003(6)
O23wU113 0 0.0026(8)
O23wU223 0 0.0022(11)
O23wU333 0 0.0047(9)
O23wU123 0 0.0013(7)
O23wU133 0 0.0021(7)
O23wU233 0 0.0019(8)
Na6U111 -0.0016(3) 0.0061(7)
Na6U221 -0.0064(4) 0.0179(10)
Na6U331 -0.0001(4) 0.0006(10)
Na6U121 0.0013(2) 0.0085(7)
Na6U131 -0.0010(2) -0.0006(7)
Na6U231 -0.0026(3) -0.0047(8)
Na6U112 -0.0037(6) -0.0026(3)
Na6U222 -0.0070(8) -0.0029(4)
Na6U332 -0.0008(7) -0.0024(4)
Na6U122 -0.0066(5) -0.0010(3)
Na6U132 0.0012(5) -0.0012(3)
Na6U232 0.0024(6) -0.0014(3)
Na6U113 0 -0.0008(4)
Na6U223 0 -0.0031(5)
Na6U333 0 0.0028(5)
Na6U123 0 -0.0039(3)
Na6U133 0 0.0007(4)
Na6U233 0 0.0000(4)
Na2U111 0.0058(12) 0.0079(13)
Na2U221 0.0337(18) 0.038(2)
Na2U331 0.0454(16) 0.0198(17)
Na2U121 -0.0033(11) -0.0075(12)
Na2U131 -0.0025(10) -0.0058(12)
Na2U231 0.0302(13) 0.0139(14)
Na2U112 -0.0004(4) 0.0057(9)
Na2U222 -0.0012(6) 0.0119(14)
Na2U332 0.0108(5) 0.0144(12)
Na2U122 0.0003(3) -0.0018(9)
Na2U132 0.0006(3) -0.0015(8)
Na2U232 0.0086(4) 0.0081(10)
C1aU111 -0.002355 0.002079
C1aU221 0.000559 0.001364
C1aU331 0.000324 0.000446
C1aU121 -0.00056 0.000673
C1aU131 -0.000367 0.002261
C1aU231 0.000874 0.000542
C1aU112 -0.00076 -0.00271
C1aU222 -0.000726 -0.001116
C1aU332 -0.000419 -0.001427
C1aU122 0.000797 -0.001932
C1aU132 -0.000453 -0.000726
C1aU232 -0.000226 -0.000498
C1aU113 0.000673 -0.000102
C1aU223 -0.000107 -0.001474
C1aU333 0.001131 -0.000526
C1aU123 0.001397 0.000864
C1aU133 0.001695 -0.000433
C1aU233 0.000124 0.001049
C2aU111 -0.00028 0.000835
C2aU221 0.000334 0.000271
C2aU331 0.001313 -0.001344
C2aU121 0.000484 0.00111
C2aU131 0.001088 0.00059
C2aU231 0.001393 0.001189
C2aU112 -0.002025 -0.001419
C2aU222 0.001361 -0.000063
C2aU332 -0.002436 -0.001276
C2aU122 0.000727 -0.000998
C2aU132 -0.002263 -0.0002
C2aU232 -0.000951 -0.000655
C2aU113 -0.000528 -0.000095
C2aU223 0.000114 -0.000714
C2aU333 -0.000068 0.000207
C2aU123 0.000216 0.00013
C2aU133 0.000485 0
C2aU233 0.000413 0.000185
C3aU111 -0.000311 0.00076
C3aU221 0.000944 -0.000798
C3aU331 0.003741 -0.003259
C3aU121 -0.000642 0.001663
C3aU131 0.002557 0.000197
C3aU231 0.000803 0.001633
C3aU112 -0.00158 -0.002024
C3aU222 0.003095 0.002776
C3aU332 -0.004804 -0.002901
C3aU122 0.000563 -0.000136
C3aU132 -0.00268 -0.000143
C3aU232 -0.001677 -0.000915
C3aU113 -0.000275 -0.000051
C3aU223 -0.001917 -0.000491
C3aU333 -0.001779 0.001106
C3aU123 -0.000317 -0.00063
C3aU133 -0.000156 0.000087
C3aU233 0.000629 -0.000722
C4aU111 -0.002817 0.001617
C4aU221 0.004138 -0.001413
C4aU331 0.004967 -0.00286
C4aU121 -0.002253 0.001242
C4aU131 0.001976 0.001144
C4aU231 0.00065 0.000191
C4aU112 0.000643 -0.003478
C4aU222 0.003756 0.00216
C4aU332 -0.004126 -0.005037
C4aU122 0.001346 0.000767
C4aU132 -0.001905 0.000239
C4aU232 -0.003631 -0.000204
C4aU113 0.000997 0.000838
C4aU223 -0.001618 -0.002519
C4aU333 -0.002619 0.000641
C4aU123 -0.000071 -0.000169
C4aU133 0.000273 -0.000339
C4aU233 0.000946 -0.000985
C5aU111 -0.004909 0.002631
C5aU221 0.004827 -0.000513
C5aU331 0.003267 -0.001633
C5aU121 -0.003797 0.001388
C5aU131 0.000087 0.00226
C5aU231 0.001417 -0.001029
C5aU112 0.002672 -0.004496
C5aU222 0.002987 -0.001824
C5aU332 -0.002755 -0.004193
C5aU122 0.00379 0.000243
C5aU132 -0.000588 0.00056
C5aU232 -0.003029 0.001337
C5aU113 0.002208 0.002054
C5aU223 0.000442 -0.001911
C5aU333 -0.001473 0.000222
C5aU123 -0.000253 0.001252
C5aU133 0.001537 -0.000051
C5aU233 0.000032 -0.000555
C6aU111 -0.004556 0.003075
C6aU221 0.001816 0.001088
C6aU331 0.000934 -0.000105
C6aU121 -0.003208 0.001414
C6aU131 -0.000922 0.00309
C6aU231 0.000953 -0.00041
C6aU112 0.001737 -0.004479
C6aU222 -0.000639 -0.0028
C6aU332 -0.001211 -0.002051
C6aU122 0.003231 -0.002162
C6aU132 0.000661 -0.00022
C6aU232 0.000017 0.000905
C6aU113 0.002453 0.001094
C6aU223 0.0003 -0.00142
C6aU333 0.000625 0.000027
C6aU123 0.000894 0.001919
C6aU133 0.002454 -0.000044
C6aU233 -0.000706 0.00072
H1c3aU111 0.001447 0.000047
H1c3aU221 0.000021 -0.002396
H1c3aU331 0.004891 -0.004367
H1c3aU121 -0.000774 0.002868
H1c3aU131 0.003989 -0.000779
H1c3aU231 0.000066 0.003252
H1c3aU112 -0.002424 -0.001435
H1c3aU222 -0.002082 -0.000919
H1c3aU332 -0.006072 -0.003234
H1c3aU122 0.001271 0.000155
H1c3aU132 -0.003747 -0.000233
H1c3aU232 -0.000983 -0.001659
H1c3aU113 -0.000859 -0.000089
H1c3aU223 0.000172 0.001955
H1c3aU333 -0.002264 0.00173
H1c3aU123 -0.00134 -0.001378
H1c3aU133 -0.000699 0.00043
H1c3aU233 0.000557 -0.00136
H1c4aU111 -0.002983 0.001435
H1c4aU221 0.006887 -0.00353
H1c4aU331 0.007223 -0.003043
H1c4aU121 -0.002968 0.001431
H1c4aU131 0.002978 0.00092
H1c4aU231 -0.000452 0.000333
H1c4aU112 0.001224 -0.003683
H1c4aU222 0.001905 -0.00364
H1c4aU332 -0.003766 -0.007333
H1c4aU122 0.00144 0.002586
H1c4aU132 -0.002593 0.000332
H1c4aU232 -0.005446 -0.000949
H1c4aU113 0.000931 0.001267
H1c4aU223 -0.000278 -0.001197
H1c4aU333 -0.003855 0.000506
H1c4aU123 -0.000355 -0.00102
H1c4aU133 -0.000093 -0.000698
H1c4aU233 0.001882 -0.001693
H1c5aU111 -0.006552 0.00301
H1c5aU221 0.008458 -0.001889
H1c5aU331 0.004012 -0.001371
H1c5aU121 -0.006041 0.001882
H1c5aU131 -0.000375 0.002432
H1c5aU231 0.001698 -0.001869
H1c5aU112 0.005171 -0.005022
H1c5aU222 0.003273 -0.011697
H1c5aU332 -0.001942 -0.005536
H1c5aU122 0.006634 0.002918
H1c5aU132 -0.000831 0.001135
H1c5aU232 -0.005009 0.002342
H1c5aU113 0.002448 0.00411
H1c5aU223 0.003172 0.0019
H1c5aU333 -0.001941 -0.000136
H1c5aU123 -0.001572 0.001106
H1c5aU133 0.001924 0.000214
H1c5aU233 0.000223 -0.001406
H1c6aU111 -0.005701 0.003976
H1c6aU221 0.001556 0.00074
H1c6aU331 0.000145 0.00097
H1c6aU121 -0.005172 0.002354
H1c6aU131 -0.001878 0.004116
H1c6aU231 0.000237 -0.000248
H1c6aU112 0.00319 -0.005514
H1c6aU222 -0.007315 -0.011384
H1c6aU332 0.000007 -0.001777
H1c6aU122 0.005803 -0.002989
H1c6aU132 0.001913 -0.000351
H1c6aU232 0.001891 0.001629
H1c6aU113 0.00365 0.001914
H1c6aU223 0.00326 0.001062
H1c6aU333 0.001744 -0.000016
H1c6aU123 0.00071 0.002773
H1c6aU133 0.003634 0.000283
H1c6aU233 -0.001649 0.000957
C1bU111 0.001817 0.000109
C1bU221 0.000561 -0.000743
C1bU331 0.000303 0.010856
C1bU121 -0.000474 0.000772
C1bU131 0.000066 0.002978
C1bU231 -0.001437 -0.001175
C1bU112 -0.000419 0.000257
C1bU222 -0.000552 -0.000653
C1bU332 -0.008123 0.000528
C1bU122 -0.001647 -0.000581
C1bU132 -0.000199 0.000412
C1bU232 -0.000386 0.000691
C1bU113 0.001443 -0.00134
C1bU223 -0.000967 0.001582
C1bU333 0.002203 -0.003956
C1bU123 0.001171 -0.001211
C1bU133 -0.000927 -0.001107
C1bU233 0.0003 -0.000829
C2bU111 0.001612 0.000109
C2bU221 -0.000953 0.003161
C2bU331 0.004816 0.005801
C2bU121 -0.000285 0.001731
C2bU131 0.001972 0.003105
C2bU231 -0.001228 -0.001105
C2bU112 -0.000502 0.00029
C2bU222 -0.004023 -0.00035
C2bU332 -0.004223 0.003256
C2bU122 -0.001563 -0.00114
C2bU132 0.000879 -0.000358
C2bU232 -0.001154 0.00048
C2bU113 0.000911 -0.001869
C2bU223 -0.000354 -0.000746
C2bU333 -0.0005 -0.002697
C2bU123 0.000679 -0.001917
C2bU133 0.00062 0.000673
C2bU233 0.000285 -0.001791
C3bU111 0.004634 0.003241
C3bU221 -0.000829 0.006402
C3bU331 0.007552 0.007575
C3bU121 -0.003733 0.00131
C3bU131 0.004669 0.005514
C3bU231 -0.001325 -0.002678
C3bU112 -0.000061 0.00052
C3bU222 -0.006139 -0.002759
C3bU332 -0.005011 0.0062
C3bU122 -0.002041 -0.003463
C3bU132 0.000922 0.002032
C3bU232 -0.002031 0.000808
C3bU113 0.002993 0.000766
C3bU223 0.001355 -0.002438
C3bU333 -0.001725 -0.003768
C3bU123 0.002227 -0.000789
C3bU133 -0.000274 0.00102
C3bU233 0.002164 -0.001183
C4bU111 0.007149 0.015198
C4bU221 0.000595 0.003215
C4bU331 0.004873 0.007008
C4bU121 -0.005175 0.002282
C4bU131 0.005077 0.006029
C4bU231 0.000782 -0.001697
C4bU112 -0.00427 0.002972
C4bU222 -0.001402 -0.006559
C4bU332 -0.005512 0.002915
C4bU122 -0.002256 -0.004445
C4bU132 -0.000043 0.004128
C4bU232 -0.00161 0.002268
C4bU113 0.003032 0.001648
C4bU223 0.002477 0.000928
C4bU333 0.000573 -0.002754
C4bU123 0.002559 0.001485
C4bU133 -0.001997 -0.000619
C4bU233 0.000896 -0.000529
C5bU111 0.006662 0.016876
C5bU221 0.00567 0.002837
C5bU331 -0.000615 0.008671
C5bU121 -0.002843 0.005407
C5bU131 0.003853 -0.001896
C5bU231 0.000542 -0.002665
C5bU112 -0.005082 0.002872
C5bU222 -0.002376 -0.002825
C5bU332 -0.006664 -0.001554
C5bU122 -0.002738 -0.002391
C5bU132 0.003152 0.003002
C5bU232 -0.001007 0.003018
C5bU113 0.00261 0.001782
C5bU223 0.001693 -0.001154
C5bU333 0.003155 -0.001684
C5bU123 0.000829 -0.000279
C5bU133 -0.002823 -0.000163
C5bU233 -0.000264 -0.001281
C6bU111 0.004922 0.005039
C6bU221 0.006145 0.001523
C6bU331 -0.003404 0.014599
C6bU121 -0.000998 0.003151
C6bU131 0.000687 -0.00269
C6bU231 -0.001682 -0.003964
C6bU112 -0.000558 0.001068
C6bU222 -0.002651 0.001045
C6bU332 -0.010737 -0.00208
C6bU122 -0.002212 -0.000715
C6bU132 0.002604 0.000821
C6bU232 -0.000328 0.001627
C6bU113 0.002351 0.001783
C6bU223 -0.00079 -0.001904
C6bU333 0.004658 -0.003942
C6bU123 0.000324 -0.001169
C6bU133 -0.001896 -0.000506
C6bU233 0.000354 -0.000131
H1c3bU111 0.004517 0.002699
H1c3bU221 0.004462 -0.000373
H1c3bU331 0.011781 0.012309
H1c3bU121 -0.004163 0.000523
H1c3bU131 0.006306 0.007321
H1c3bU231 -0.003409 -0.007486
H1c3bU112 0.000085 0.000286
H1c3bU222 0.008039 -0.013018
H1c3bU332 -0.006328 0.011721
H1c3bU122 -0.001347 -0.0049
H1c3bU132 0.000859 0.002264
H1c3bU232 -0.000978 -0.002288
H1c3bU113 0.003114 0.000381
H1c3bU223 0.00628 0.006942
H1c3bU333 -0.004746 -0.005848
H1c3bU123 0.003034 -0.00048
H1c3bU133 0.000762 0.001578
H1c3bU233 0.006251 0.000736
H1c4bU111 0.007419 0.027309
H1c4bU221 0.007426 -0.007742
H1c4bU331 0.006628 0.009053
H1c4bU121 -0.006938 0.00138
H1c4bU131 0.006293 0.011933
H1c4bU231 0.002431 -0.00388
H1c4bU112 -0.009968 0.004309
H1c4bU222 0.024739 -0.012361
H1c4bU332 -0.006799 0.004434
H1c4bU122 -0.001139 -0.006638
H1c4bU132 -0.00333 0.006098
H1c4bU232 0.001118 0.001681
H1c4bU113 0.003678 0.000421
H1c4bU223 -0.001768 0.01736
H1c4bU333 0.000408 -0.003638
H1c4bU123 0.00313 0.00515
H1c4bU133 -0.001882 -0.00239
H1c4bU233 0.000931 0.003251
H1c5bU111 0.005344 0.030896
H1c5bU221 0.01838 -0.00482
H1c5bU331 -0.002848 0.009704
H1c5bU121 -0.002372 0.009617
H1c5bU131 0.005939 -0.005971
H1c5bU231 0.002346 -0.005873
H1c5bU112 -0.011916 0.003032
H1c5bU222 0.019201 -0.001083
H1c5bU332 -0.006813 -0.00353
H1c5bU122 -0.00277 -0.002348
H1c5bU132 0.005098 0.004631
H1c5bU232 0.001836 0.003907
H1c5bU113 0.00354 0.000419
H1c5bU223 -0.004571 0.009797
H1c5bU333 0.004067 -0.000618
H1c5bU123 0.000086 -0.000156
H1c5bU133 -0.004217 -0.000373
H1c5bU233 -0.001515 0.00031
H1c6bU111 0.004964 0.005648
H1c6bU221 0.017814 -0.006853
H1c6bU331 -0.008239 0.02413
H1c6bU121 0.000496 0.003714
H1c6bU131 -0.000246 -0.006437
H1c6bU231 -0.002878 -0.009995
H1c6bU112 -0.000723 0.001203
H1c6bU222 0.016307 0.000547
H1c6bU332 -0.016883 -0.003998
H1c6bU122 -0.001496 0.000104
H1c6bU132 0.003749 0.000412
H1c6bU232 0.002934 0.000017
H1c6bU113 0.002031 0.002058
H1c6bU223 -0.003912 0.008479
H1c6bU333 0.007735 -0.00615
H1c6bU123 -0.000397 -0.001119
H1c6bU133 -0.00213 -0.00082
H1c6bU233 0.001093 0.004132

210K

Chemical data

Common Name: Sodium Saccharinate 1.875-Hydrate [ Help ]

Structural Formula Sum: C7 H4 N1 Na1 O4.875 S1 [ Help ]

Formula weight: 235.2 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: C2/c(0β0)s0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

Operation code Operation in algebraic form
1 x1,x2,x3,x4
2 -x1,x2+1/2,-x3+1/2,x4+1/2
3 -x1,-x2,-x3,-x4
4 x1,-x2+1/2,x3+1/2,-x4+1/2
5 x1+1/2,x2+1/2,x3,x4
6 -x1+1/2,x2,-x3+1/2,x4+1/2
7 -x1+1/2,-x2+1/2,-x3,-x4
8 x1+1/2,-x2,x3+1/2,-x4+1/2

a: 18.6705 Å [ Help ]

b: 7.12300(10) Å [ Help ]

c: 29.12920(10) Å [ Help ]

α: 90 ° [ Help ]

β: 93.6645 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 3865.97(6) Å3 [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.000000 0.750000 0.000000

Z: 16 [ Help ]

Cell measurement temperature: 210 K [ Help ]

μ: 0.144 mm-1 [ Help ]

Absorption correction type: empirical [ Help ]

Absorption correction remarks: SADABS, Program for Empirical Absorption Correction of Area Detector Data, G. M. Sheldrick, 1996 [ Help ]

Refinement details

Total nb. of reflections: 53016 [ Help ]

Nb. of observed reflections: 30241 [ Help ]

Intense reflections threshold: I>3σ(I) [ Help ]

Refinement based on: F [ Help ]

R(obs): 0.0518 [ Help ]

wR(obs): 0.0505 [ Help ]

R(all): 0.1159 [ Help ]

wR(all): 0.0544 [ Help ]

S(all): 2.04 [ Help ]

S(obs): 2.53 [ Help ]

Nb. of reflections: 53016 [ Help ]

Nb. of parameters: 1702 [ Help ]

Number of restraints: 0 [ Help ]

Number of constraints: 710 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ2(F)+0.0001F2) [ Help ]

Refinement of hydrogen atoms: constr [ Help ]

Δ/σ(max): 0.0095 [ Help ]

Δ/σ(mean): 0.0004 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom site label Atom symbol x y z ADP type Uiso/equiv Symmetry multiplicity Occupancy Coords from (d)iffraction or (c)alculated Coords restraints or constraints Disordered cluster Disordered group
S1a S -0.050980(9) 0.77418(3) 0.412378(6) Uani 0.02231(5) 8 1 d . . .
O1a O -0.09198(3) 0.94006(9) 0.42124(2) Uani 0.03393(18) 8 1 d . . .
O2a O -0.08038(3) 0.60373(8) 0.42987(2) Uani 0.03345(18) 8 1 d . . .
O3a O 0.05843(3) 0.75560(8) 0.313756(18) Uani 0.03017(18) 8 1 d . . .
N1a N -0.03677(3) 0.75638(9) 0.35894(2) Uani 0.02491(19) 8 1 d . . .
C7a C 0.03413(4) 0.76725(10) 0.35190(3) Uani 0.0219(2) 8 1 d . . .
S1b S -0.219394(12) 0.78110(4) 0.173871(9) Uani 0.02336(6) 8 0.875 d . . .
S1b' S -0.20246(7) 0.69627(19) 0.17525(5) Uani 0.02336(6) 8 0.07826(16) d . . .
S1b'' S -0.18082(10) 0.6821(3) 0.17573(9) Uani 0.02336(6) 8 0.04674(16) d . . .
O1b O -0.26191(4) 0.61863(11) 0.17620(3) Uani 0.0367(2) 8 0.875 d . . .
O1b' O -0.2183(7) 0.500(2) 0.1791(5) Uani 0.0367(2) 8 0.07826(16) d . . .
O1b'' O -0.2046(2) 0.8190(6) 0.21056(18) Uani 0.0367(2) 8 0.04674(16) d . . .
O2b O -0.25319(4) 0.94855(11) 0.18690(3) Uani 0.0371(2) 8 0.875 d . . .
O2b' O -0.24934(15) 0.8219(4) 0.19705(10) Uani 0.0371(2) 8 0.07826(16) d . . .
O2b'' O -0.2186(10) 0.500(3) 0.1792(7) Uani 0.0371(2) 8 0.04674(16) d . . .
O3b O -0.02814(4) 0.74802(11) 0.18803(3) Uani 0.0326(2) 8 0.875 d . . .
O3b' O -0.01437(13) 0.8080(4) 0.16223(11) Uani 0.0326(2) 8 0.07826(16) d . . .
O3b'' O -0.0022(2) 0.7069(7) 0.1333(2) Uani 0.0326(2) 8 0.04674(16) d . . .
N1b N -0.14509(4) 0.75407(13) 0.20261(3) Uani 0.0267(2) 8 0.875 d . . .
N1b' N -0.12043(18) 0.7269(5) 0.19229(12) Uani 0.0267(2) 8 0.07826(16) d . . .
N1b'' N -0.0946(3) 0.6671(9) 0.1807(2) Uani 0.0267(2) 8 0.04674(16) d . . .
C7b C -0.09095(5) 0.76272(14) 0.17481(4) Uani 0.0232(2) 8 0.875 d . . .
C7b' C -0.08030(19) 0.7772(6) 0.15790(15) Uani 0.0232(2) 8 0.07826(16) d . . .
C7b'' C -0.0667(3) 0.7150(10) 0.1403(3) Uani 0.0232(2) 8 0.04674(16) d . . .
O28w O 0.09502(4) 0.52152(10) 0.22153(3) Uani 0.0455(3) 8 0.9844 d . . .
O28w' O 0.09502(4) 0.52152(10) 0.22153(3) Uani 0.0559(12) 8 0.0842(7) d . . .
O28w'' O 0.0923(3) 0.5440(8) 0.2131(2) Uani 0.0559(12) 8 0.0564(7) d . . .
O18w O -0.09450(4) 0.50065(10) 0.27937(3) Uani 0.0419(12) 8 0.8438 d . . .
O18w' O -0.09450(4) 0.50065(10) 0.27937(3) Uani 0.0421(9) 8 0.0910(6) d . . .
O18w'' O -0.0490(3) 0.4616(8) 0.28290(19) Uani 0.0421(9) 8 0.0496(6) d . . .
O19w' O -0.09450(4) 0.50065(10) 0.27937(3) Uani 0.0408(10) 8 0.0839(6) d . . .
O19w'' O -0.0962(3) 0.4842(7) 0.28073(19) Uani 0.0408(10) 8 0.0567(6) d . . .
O24w O 0.14962(4) 0.78030(10) 0.12140(3) Uani 0.0553(3) 8 0.9844 d . . .
O24w' O 0.14962(4) 0.78030(10) 0.12140(3) Uani 0.0524(8) 8 0.0826(4) d . . .
O24w'' O 0.1462(2) 0.8435(7) 0.12168(16) Uani 0.0524(8) 8 0.0580(4) d . . .
O23w O 0.23885(8) 0.8137(2) 0.27662(5) Uani 0.0345(5) 8 0.8438 d . . .
Na6 Na 0.19807(4) 0.81502(12) 0.19797(3) Uani 0.0266(3) 8 0.75 d . . .
Na2 Na 0.00371(10) 0.6882(3) 0.25334(8) Uani 0.0423(7) 8 0.625 d . . .
Na2' Na -0.10379(7) 0.7645(2) 0.28202(5) Uani 0.0292(5) 8 0.0745(3) d . . .
Na2'' Na -0.03729(12) 0.7734(4) 0.25393(8) Uani 0.0442(9) 8 0.0505(3) d . . .
Na16' Na 0.13596(11) 0.6927(10) 0.26391(10) Uani 0.0335(11) 8 0.0664(15) d . . .
Na16'' Na 0.14093(13) 0.8121(15) 0.26904(10) Uani 0.050(2) 8 0.0586(15) d . . .
Na16 Na 0.15101(4) 0.76744(12) 0.27696(3) Uani 0.0270(3) 8 0.125 d . . .
Na14' Na 0.09356(6) 0.9779(2) 0.14972(5) Uani 0.0240(4) 8 0.0726(2) d . . .
Na14'' Na 0.10843(10) 0.5581(3) 0.14950(7) Uani 0.0306(7) 8 0.0524(2) d . . .
Na14 Na 0.08978(4) 0.55444(12) 0.15801(3) Uani 0.0240(2) 8 0.125 d . . .
C1a C 0.03897(3) 0.80359(9) 0.43301(2) Uani 0.0208(7) 8 1 d . . .
C2a C 0.07990(5) 0.79697(14) 0.39555(3) Uani 0.0205(7) 8 1 d . . .
C3a C 0.15319(5) 0.81835(16) 0.40100(3) Uani 0.0262(7) 8 1 d . . .
C4a C 0.18358(5) 0.84639(16) 0.44521(4) Uani 0.0318(7) 8 1 d . . .
C5a C 0.14173(5) 0.85306(16) 0.48245(4) Uani 0.0326(7) 8 1 d . . .
C6a C 0.06799(5) 0.83145(15) 0.47717(3) Uani 0.0273(8) 8 1 d . . .
H1c3a H 0.182372 0.814023 0.375055 Uani 0.0333(16) 8 1 d . . .
H1c4a H 0.234619 0.861384 0.449911 Uani 0.0426(14) 8 1 d . . .
H1c5a H 0.16414 0.873092 0.512637 Uani 0.0440(14) 8 1 d . . .
H1c6a H 0.038533 0.835651 0.502989 Uani 0.0352(16) 8 1 d . . .
C1b C -0.18692(5) 0.8074(4) 0.11961(3) Uani 0.0213(11) 8 0.875 d . . .
C2b C -0.11361(6) 0.7940(4) 0.12576(4) Uani 0.0210(11) 8 0.875 d . . .
C3b C -0.07161(6) 0.8129(7) 0.08891(4) Uani 0.0283(12) 8 0.875 d . . .
C4b C -0.10583(7) 0.8456(4) 0.04594(4) Uani 0.0347(11) 8 0.875 d . . .
C5b C -0.17950(7) 0.8582(4) 0.04032(4) Uani 0.0362(11) 8 0.875 d . . .
C6b C -0.22201(6) 0.8395(7) 0.07728(4) Uani 0.0303(12) 8 0.875 d . . .
H1c3b H -0.020279 0.803761 0.092789 Uani 0.044(2) 8 0.875 d . . .
H1c4b H -0.077691 0.859556 0.019699 Uani 0.054(2) 8 0.875 d . . .
H1c5b H -0.201777 0.880482 0.01019 Uani 0.057(2) 8 0.875 d . . .
H1c6b H -0.273356 0.848538 0.073605 Uani 0.047(3) 8 0.875 d . . .
C1c C -0.19351(15) 0.7626(8) 0.11675(7) Uani 0.0213(10) 8 0.07826(16) d . . .
C2c C -0.12200(15) 0.7989(8) 0.11270(8) Uani 0.0210(10) 8 0.07826(16) d . . .
C3c C -0.09805(14) 0.8574(14) 0.07136(10) Uani 0.0283(11) 8 0.07826(16) d . . .
C4c C -0.14833(15) 0.8780(8) 0.03450(8) Uani 0.0347(10) 8 0.07826(16) d . . .
C5c C -0.21991(15) 0.8406(8) 0.03910(8) Uani 0.0362(10) 8 0.07826(16) d . . .
C6c C -0.24431(15) 0.7819(15) 0.08062(10) Uani 0.0303(12) 8 0.07826(16) d . . .
H1c3c H -0.048159 0.883183 0.068107 Uani 0.044(2) 8 0.07826(16) d . . .
H1c4c H -0.132967 0.918941 0.005308 Uani 0.054(2) 8 0.07826(16) d . . .
H1c5c H -0.253514 0.855559 0.013007 Uani 0.057(2) 8 0.07826(16) d . . .
H1c6c H -0.294135 0.755869 0.084074 Uani 0.047(2) 8 0.07826(16) d . . .
C1d C -0.1900(2) 0.7675(10) 0.12082(13) Uani 0.0213(10) 8 0.04674(16) d . . .
C2d C -0.1231(2) 0.7804(10) 0.10408(13) Uani 0.0210(10) 8 0.04674(16) d . . .
C3d C -0.11547(18) 0.8411(16) 0.05981(16) Uani 0.0283(11) 8 0.04674(16) d . . .
C4d C -0.1772(2) 0.8880(10) 0.03318(13) Uani 0.0347(10) 8 0.04674(16) d . . .
C5d C -0.2440(2) 0.8739(10) 0.05046(13) Uani 0.0362(10) 8 0.04674(16) d . . .
C6d C -0.25192(18) 0.8131(16) 0.09499(16) Uani 0.0303(11) 8 0.04674(16) d . . .
H1c3d H -0.068963 0.850619 0.047719 Uani 0.044(2) 8 0.04674(16) d . . .
H1c4d H -0.17328 0.93094 0.002209 Uani 0.054(2) 8 0.04674(16) d . . .
H1c5d H -0.285776 0.90681 0.031258 Uani 0.057(2) 8 0.04674(16) d . . .
H1c6d H -0.298285 0.803308 0.107261 Uani 0.047(2) 8 0.04674(16) d . . .

ADP components: [ Help ]

Atom site label Atom site symbol U11 U22 U33 U12 U13 U23
S1a S 0.02080(8) 0.02795(10) 0.01834(8) -0.00041(7) 0.00244(6) -0.00243(7)
O1a O 0.0296(3) 0.0403(4) 0.0319(3) 0.0116(2) 0.0020(2) -0.0057(3)
O2a O 0.0362(3) 0.0368(3) 0.0281(3) -0.0124(2) 0.0074(2) -0.0010(3)
O3a O 0.0296(3) 0.0425(4) 0.0189(3) -0.0025(2) 0.0056(2) -0.0013(2)
N1a N 0.0226(3) 0.0349(4) 0.0172(3) -0.0016(2) 0.0016(2) -0.0025(3)
C7a C 0.0251(3) 0.0216(4) 0.0191(3) 0.0003(3) 0.0019(3) 0.0002(3)
S1b S 0.02375(11) 0.02121(10) 0.02585(11) 0.00229(9) 0.00727(9) 0.00212(8)
S1b' S 0.02375(11) 0.02121(10) 0.02585(11) 0.00229(9) 0.00727(9) 0.00212(8)
S1b'' S 0.02375(11) 0.02121(10) 0.02585(11) 0.00229(9) 0.00727(9) 0.00212(8)
O1b O 0.0340(4) 0.0307(4) 0.0468(5) -0.0053(3) 0.0124(3) 0.0089(3)
O1b' O 0.0340(4) 0.0307(4) 0.0468(5) -0.0053(3) 0.0124(3) 0.0089(3)
O1b'' O 0.0340(4) 0.0307(4) 0.0468(5) -0.0053(3) 0.0124(3) 0.0089(3)
O2b O 0.0413(4) 0.0304(4) 0.0411(5) 0.0112(3) 0.0146(3) -0.0032(3)
O2b' O 0.0413(4) 0.0304(4) 0.0411(5) 0.0112(3) 0.0146(3) -0.0032(3)
O2b'' O 0.0413(4) 0.0304(4) 0.0411(5) 0.0112(3) 0.0146(3) -0.0032(3)
O3b O 0.0224(3) 0.0361(4) 0.0381(4) 0.0021(2) -0.0066(3) 0.0027(3)
O3b' O 0.0224(3) 0.0361(4) 0.0381(4) 0.0021(2) -0.0066(3) 0.0027(3)
O3b'' O 0.0224(3) 0.0361(4) 0.0381(4) 0.0021(2) -0.0066(3) 0.0027(3)
N1b N 0.0278(4) 0.0307(4) 0.0213(4) 0.0013(3) -0.0004(3) 0.0036(3)
N1b' N 0.0278(4) 0.0307(4) 0.0213(4) 0.0013(3) -0.0004(3) 0.0036(3)
N1b'' N 0.0278(4) 0.0307(4) 0.0213(4) 0.0013(3) -0.0004(3) 0.0036(3)
C7b C 0.0241(4) 0.0195(4) 0.0255(5) 0.0001(3) -0.0026(3) 0.0003(3)
C7b' C 0.0241(4) 0.0195(4) 0.0255(5) 0.0001(3) -0.0026(3) 0.0003(3)
C7b'' C 0.0241(4) 0.0195(4) 0.0255(5) 0.0001(3) -0.0026(3) 0.0003(3)
O28w O 0.0423(4) 0.0396(5) 0.0547(6) 0.0012(3) 0.0048(4) 0.0016(4)
O28w' O 0.067(2) 0.0420(17) 0.056(3) 0.0130(13) -0.0212(19) -0.0138(17)
O28w'' O 0.067(2) 0.0420(17) 0.056(3) 0.0130(13) -0.0212(19) -0.0138(17)
O18w O 0.0489(18) 0.037(2) 0.041(2) -0.0094(15) 0.0118(15) -0.0036(17)
O18w' O 0.0339(16) 0.0506(13) 0.0421(15) 0.0039(13) 0.0043(12) -0.0043(11)
O18w'' O 0.0339(16) 0.0506(13) 0.0421(15) 0.0039(13) 0.0043(12) -0.0043(11)
O19w' O 0.0420(19) 0.0359(15) 0.0432(19) -0.0011(13) -0.0075(13) 0.0001(12)
O19w'' O 0.0420(19) 0.0359(15) 0.0432(19) -0.0011(13) -0.0075(13) 0.0001(12)
O24w O 0.0658(5) 0.0451(6) 0.0529(6) -0.0006(4) -0.0135(4) 0.0033(4)
O24w' O 0.0532(12) 0.0426(16) 0.0597(15) 0.0032(15) -0.0099(11) -0.0026(16)
O24w'' O 0.0532(12) 0.0426(16) 0.0597(15) 0.0032(15) -0.0099(11) -0.0026(16)
O23w O 0.0357(8) 0.0356(10) 0.0326(9) 0.0001(7) 0.0043(7) -0.0010(8)
Na6 Na 0.0253(4) 0.0285(5) 0.0261(5) 0.0045(3) 0.0019(4) -0.0015(4)
Na2 Na 0.0238(10) 0.0507(13) 0.0516(13) -0.0022(9) -0.0047(8) 0.0239(10)
Na2' Na 0.0389(8) 0.0266(9) 0.0210(8) -0.0019(6) -0.0051(6) -0.0009(6)
Na2'' Na 0.0418(14) 0.0562(18) 0.0334(14) -0.0186(11) -0.0083(10) -0.0014(12)
Na16' Na 0.0207(9) 0.054(3) 0.0261(11) 0.0039(10) 0.0035(7) 0.0118(12)
Na16'' Na 0.0278(11) 0.091(6) 0.0341(14) -0.0007(15) 0.0127(9) 0.0019(18)
Na16 Na 0.0217(4) 0.0349(5) 0.0246(5) -0.0029(3) 0.0039(3) 0.0017(4)
Na14' Na 0.0216(7) 0.0271(8) 0.0228(8) -0.0019(5) -0.0016(5) 0.0046(6)
Na14'' Na 0.0227(10) 0.0353(13) 0.0328(13) 0.0016(8) -0.0050(8) 0.0028(10)
Na14 Na 0.0208(4) 0.0278(5) 0.0232(4) 0.0043(3) -0.0012(3) -0.0009(4)
C1a C 0.0234(3) 0.018(2) 0.0205(3) 0.0006(4) 0.0001(2) -0.0008(5)
C2a C 0.0238(3) 0.017(2) 0.0201(3) 0.0001(5) 0.0001(2) 0.0001(5)
C3a C 0.0234(3) 0.025(2) 0.0306(3) 0.0000(5) 0.0026(2) -0.0004(5)
C4a C 0.0242(3) 0.032(2) 0.0385(3) 0.0003(4) -0.0063(2) -0.0043(5)
C5a C 0.0343(3) 0.034(2) 0.0279(3) 0.0027(4) -0.0099(2) -0.0067(5)
C6a C 0.0334(3) 0.028(2) 0.0204(3) 0.0031(5) -0.0009(2) -0.0037(5)
H1c3a H 0.0286(6) 0.033(5) 0.0389(4) 0.0002(10) 0.0101(5) 0.0013(9)
H1c4a H 0.0246(5) 0.044(4) 0.0572(6) -0.0007(9) -0.0096(4) -0.0060(9)
H1c5a H 0.0478(5) 0.049(4) 0.0328(6) 0.0047(9) -0.0177(4) -0.0110(9)
H1c6a H 0.0453(6) 0.039(5) 0.0216(4) 0.0053(10) 0.0043(5) -0.0043(10)
C1b C 0.0225(4) 0.016(3) 0.0251(3) -0.0003(5) 0.0015(3) 0.0005(5)
C2b C 0.0225(4) 0.017(3) 0.0236(3) -0.0004(5) 0.0011(3) -0.0001(5)
C3b C 0.0282(3) 0.025(3) 0.0324(5) -0.0013(4) 0.0093(2) -0.0024(6)
C4b C 0.0502(4) 0.030(3) 0.0251(3) -0.0014(5) 0.0121(3) -0.0018(5)
C5b C 0.0524(4) 0.033(3) 0.0226(3) 0.0013(5) -0.0046(3) 0.0000(5)
C6b C 0.0305(3) 0.028(4) 0.0315(5) 0.0016(4) -0.0072(2) 0.0002(6)
H1c3b H 0.0276(3) 0.053(7) 0.0524(11) -0.0005(6) 0.0140(3) -0.0014(13)
H1c4b H 0.0735(8) 0.059(6) 0.0326(5) -0.0019(10) 0.0255(5) 0.0003(10)
H1c5b H 0.0787(8) 0.065(6) 0.0256(5) 0.0044(10) -0.0128(5) 0.0039(10)
H1c6b H 0.0313(3) 0.058(8) 0.0510(11) 0.0045(6) -0.0137(3) 0.0030(14)
C1c C 0.0224(4) 0.016(3) 0.0251(4) 0.0012(7) 0.0021(3) -0.0004(7)
C2c C 0.0223(4) 0.017(3) 0.0236(4) 0.0010(7) 0.0015(3) -0.0009(7)
C3c C 0.0323(3) 0.025(3) 0.0287(5) -0.0011(7) 0.0096(3) -0.0006(8)
C4c C 0.0523(4) 0.031(3) 0.0217(4) 0.0033(7) 0.0059(3) 0.0006(7)
C5c C 0.0457(4) 0.035(3) 0.0264(4) 0.0062(7) -0.0096(3) -0.0024(7)
C6c C 0.0257(3) 0.029(3) 0.0352(6) 0.0021(7) -0.0054(3) -0.0030(8)
H1c3c H 0.0360(4) 0.051(7) 0.0467(12) -0.0071(13) 0.0175(4) 0.0032(17)
H1c4c H 0.0803(9) 0.058(6) 0.0253(6) 0.0024(13) 0.0135(5) 0.0077(14)
H1c5c H 0.0650(9) 0.068(6) 0.0350(6) 0.0088(13) -0.0223(6) 0.0003(14)
H1c6c H 0.0248(4) 0.058(7) 0.0576(12) -0.0018(13) -0.0078(5) -0.0009(18)
C1d C 0.0231(4) 0.016(3) 0.0245(4) 0.0001(5) 0.0027(3) -0.0011(9)
C2d C 0.0225(4) 0.017(3) 0.0235(4) -0.0002(5) 0.0017(3) -0.0014(9)
C3d C 0.0354(3) 0.025(3) 0.0246(6) -0.0029(4) 0.0073(3) -0.0011(10)
C4d C 0.0518(4) 0.030(3) 0.0216(4) 0.0004(4) -0.0029(3) 0.0006(9)
C5d C 0.0389(4) 0.034(3) 0.0340(4) 0.0049(4) -0.0132(3) -0.0019(9)
C6d C 0.0231(3) 0.029(3) 0.0384(6) 0.0021(4) -0.0021(3) -0.0032(10)
H1c3d H 0.0434(4) 0.052(7) 0.0381(12) -0.0050(7) 0.0185(5) 0.003(2)
H1c4d H 0.0811(8) 0.057(6) 0.0236(8) 0.0012(9) -0.0019(5) 0.0086(18)
H1c5d H 0.0514(8) 0.065(6) 0.0510(8) 0.0115(9) -0.0260(5) 0.0026(18)
H1c6d H 0.0226(4) 0.058(7) 0.0613(12) 0.0032(7) 0.0028(5) 0.000(2)

Fourier Wave Vectors (explicit: q_x,q_y,q_z or coefficients: q_1,q_2,...): [ Help ]

Wave vector code q_1
1 1
2 2
3 3
4 4

Occupation crenel coefficients: [ Help ]

Atom site label Center (x0) Width
S1b 0.71082(3) 0.875
S1b' 1.14720(14) 0.125
S1b'' 1.1365(3) 0.125
O1b 0.58897(8) 0.875
O1b' 0.9999(15) 0.125
O1b'' 1.2392(5) 0.125
O2b 0.83641(8) 0.875
O2b' 1.2414(3) 0.125
O2b'' 1.000(2) 0.125
O3b 0.68602(8) 0.875
O3b' 1.2310(3) 0.125
O3b'' 1.1552(6) 0.125
N1b 0.69055(10) 0.875
N1b' 1.1702(4) 0.125
N1b'' 1.1253(7) 0.125
C7b 0.69704(11) 0.875
C7b' 1.2079(4) 0.125
C7b'' 1.1613(7) 0.125
O28w 0.39114(7) 0.875
O28w' 0.89114(7) 0.125
O28w'' 0.9080(6) 0.125
O18w 0.43799(8) 0.75
O18w' 0.87549(8) 0.125
O18w'' 0.8462(6) 0.125
O19w' 1.00048(8) 0.125
O19w'' 0.9881(6) 0.125
O24w 0.71022(8) 0.875
O24w' 0.21023(8) 0.125
O24w'' 0.2576(5) 0.125
O23w 0.79778(17) 0.75
Na6 0.79877(9) 0.75
Na2 0.6411(2) 0.625
Na2' 0.19835(15) 0.125
Na2'' 0.2050(3) 0.125
Na16' 0.1445(7) 0.125
Na16'' 0.2341(12) 0.125
Na16 0.32558(9) 0.125
Na14' 0.35840(15) 0.125
Na14'' 0.0436(2) 0.125
Na14 0.16583(9) 0.125
C1b 0.7305 0.875
C2b 0.7205 0.875
C3b 0.7347 0.875
C4b 0.7592 0.875
C5b 0.7687 0.875
C6b 0.7547 0.875
H1c3b 0.7278 0.875
H1c4b 0.7697 0.875
H1c5b 0.7854 0.875
H1c6b 0.7614 0.875
C1c 1.1969 0.125
C2c 1.2242 0.125
C3c 1.2681 0.125
C4c 1.2835 0.125
C5c 1.2554 0.125
C6c 1.2114 0.125
H1c3c 1.2874 0.125
H1c4c 1.3142 0.125
H1c5c 1.2667 0.125
H1c6c 1.1919 0.125
C1d 1.2006 0.125
C2d 1.2103 0.125
C3d 1.2558 0.125
C4d 1.291 0.125
C5d 1.2804 0.125
C6d 1.2349 0.125
H1c3d 1.263 0.125
H1c4d 1.3232 0.125
H1c5d 1.3051 0.125
H1c6d 1.2275 0.125

Definition of the displacive (translational) Fourier series: [ Help ]

Modulation code Atom site label Displacement axis Wave vector code
S1ax1 S1a x 1
S1ay1 S1a y 1
S1az1 S1a z 1
S1ax2 S1a x 2
S1ay2 S1a y 2
S1az2 S1a z 2
S1ax3 S1a x 3
S1ay3 S1a y 3
S1az3 S1a z 3
S1ax4 S1a x 4
S1ay4 S1a y 4
S1az4 S1a z 4
O1ax1 O1a x 1
O1ay1 O1a y 1
O1az1 O1a z 1
O1ax2 O1a x 2
O1ay2 O1a y 2
O1az2 O1a z 2
O1ax3 O1a x 3
O1ay3 O1a y 3
O1az3 O1a z 3
O1ax4 O1a x 4
O1ay4 O1a y 4
O1az4 O1a z 4
O2ax1 O2a x 1
O2ay1 O2a y 1
O2az1 O2a z 1
O2ax2 O2a x 2
O2ay2 O2a y 2
O2az2 O2a z 2
O2ax3 O2a x 3
O2ay3 O2a y 3
O2az3 O2a z 3
O2ax4 O2a x 4
O2ay4 O2a y 4
O2az4 O2a z 4
O3ax1 O3a x 1
O3ay1 O3a y 1
O3az1 O3a z 1
O3ax2 O3a x 2
O3ay2 O3a y 2
O3az2 O3a z 2
O3ax3 O3a x 3
O3ay3 O3a y 3
O3az3 O3a z 3
O3ax4 O3a x 4
O3ay4 O3a y 4
O3az4 O3a z 4
N1ax1 N1a x 1
N1ay1 N1a y 1
N1az1 N1a z 1
N1ax2 N1a x 2
N1ay2 N1a y 2
N1az2 N1a z 2
N1ax3 N1a x 3
N1ay3 N1a y 3
N1az3 N1a z 3
N1ax4 N1a x 4
N1ay4 N1a y 4
N1az4 N1a z 4
C7ax1 C7a x 1
C7ay1 C7a y 1
C7az1 C7a z 1
C7ax2 C7a x 2
C7ay2 C7a y 2
C7az2 C7a z 2
C7ax3 C7a x 3
C7ay3 C7a y 3
C7az3 C7a z 3
C7ax4 C7a x 4
C7ay4 C7a y 4
C7az4 C7a z 4
S1bx1 S1b x 1
S1by1 S1b y 1
S1bz1 S1b z 1
S1bx2 S1b x 2
S1by2 S1b y 2
S1bz2 S1b z 2
S1bx3 S1b x 3
S1by3 S1b y 3
S1bz3 S1b z 3
O1bx1 O1b x 1
O1by1 O1b y 1
O1bz1 O1b z 1
O1bx2 O1b x 2
O1by2 O1b y 2
O1bz2 O1b z 2
O1bx3 O1b x 3
O1by3 O1b y 3
O1bz3 O1b z 3
O2bx1 O2b x 1
O2by1 O2b y 1
O2bz1 O2b z 1
O2bx2 O2b x 2
O2by2 O2b y 2
O2bz2 O2b z 2
O2bx3 O2b x 3
O2by3 O2b y 3
O2bz3 O2b z 3
O3bx1 O3b x 1
O3by1 O3b y 1
O3bz1 O3b z 1
O3bx2 O3b x 2
O3by2 O3b y 2
O3bz2 O3b z 2
O3bx3 O3b x 3
O3by3 O3b y 3
O3bz3 O3b z 3
N1bx1 N1b x 1
N1by1 N1b y 1
N1bz1 N1b z 1
N1bx2 N1b x 2
N1by2 N1b y 2
N1bz2 N1b z 2
N1bx3 N1b x 3
N1by3 N1b y 3
N1bz3 N1b z 3
C7bx1 C7b x 1
C7by1 C7b y 1
C7bz1 C7b z 1
C7bx2 C7b x 2
C7by2 C7b y 2
C7bz2 C7b z 2
C7bx3 C7b x 3
C7by3 C7b y 3
C7bz3 C7b z 3
O28wx1 O28w x 1
O28wy1 O28w y 1
O28wz1 O28w z 1
O28wx2 O28w x 2
O28wy2 O28w y 2
O28wz2 O28w z 2
O28wx3 O28w x 3
O28wy3 O28w y 3
O28wz3 O28w z 3
O28wx4 O28w x 4
O28wy4 O28w y 4
O28wz4 O28w z 4
O28w'x1 O28w' x 1
O28w'y1 O28w' y 1
O28w'z1 O28w' z 1
O28w'x2 O28w' x 2
O28w'y2 O28w' y 2
O28w'z2 O28w' z 2
O28w'x3 O28w' x 3
O28w'y3 O28w' y 3
O28w'z3 O28w' z 3
O28w'x4 O28w' x 4
O28w'y4 O28w' y 4
O28w'z4 O28w' z 4
O18wx1 O18w x 1
O18wy1 O18w y 1
O18wz1 O18w z 1
O18wx2 O18w x 2
O18wy2 O18w y 2
O18wz2 O18w z 2
O18wx3 O18w x 3
O18wy3 O18w y 3
O18wz3 O18w z 3
O18wx4 O18w x 4
O18wy4 O18w y 4
O18wz4 O18w z 4
O18w'x1 O18w' x 1
O18w'y1 O18w' y 1
O18w'z1 O18w' z 1
O18w'x2 O18w' x 2
O18w'y2 O18w' y 2
O18w'z2 O18w' z 2
O18w'x3 O18w' x 3
O18w'y3 O18w' y 3
O18w'z3 O18w' z 3
O18w'x4 O18w' x 4
O18w'y4 O18w' y 4
O18w'z4 O18w' z 4
O19w'x1 O19w' x 1
O19w'y1 O19w' y 1
O19w'z1 O19w' z 1
O19w'x2 O19w' x 2
O19w'y2 O19w' y 2
O19w'z2 O19w' z 2
O19w'x3 O19w' x 3
O19w'y3 O19w' y 3
O19w'z3 O19w' z 3
O19w'x4 O19w' x 4
O19w'y4 O19w' y 4
O19w'z4 O19w' z 4
O24wx1 O24w x 1
O24wy1 O24w y 1
O24wz1 O24w z 1
O24wx2 O24w x 2
O24wy2 O24w y 2
O24wz2 O24w z 2
O24wx3 O24w x 3
O24wy3 O24w y 3
O24wz3 O24w z 3
O24wx4 O24w x 4
O24wy4 O24w y 4
O24wz4 O24w z 4
O24w'x1 O24w' x 1
O24w'y1 O24w' y 1
O24w'z1 O24w' z 1
O24w'x2 O24w' x 2
O24w'y2 O24w' y 2
O24w'z2 O24w' z 2
O24w'x3 O24w' x 3
O24w'y3 O24w' y 3
O24w'z3 O24w' z 3
O24w'x4 O24w' x 4
O24w'y4 O24w' y 4
O24w'z4 O24w' z 4
O23wx1 O23w x 1
O23wy1 O23w y 1
O23wz1 O23w z 1
O23wx2 O23w x 2
O23wy2 O23w y 2
O23wz2 O23w z 2
O23wx3 O23w x 3
O23wy3 O23w y 3
O23wz3 O23w z 3
Na6x1 Na6 x 1
Na6y1 Na6 y 1
Na6z1 Na6 z 1
Na6x2 Na6 x 2
Na6y2 Na6 y 2
Na6z2 Na6 z 2
Na6x3 Na6 x 3
Na6y3 Na6 y 3
Na6z3 Na6 z 3
Na2x1 Na2 x 1
Na2y1 Na2 y 1
Na2z1 Na2 z 1
Na2x2 Na2 x 2
Na2y2 Na2 y 2
Na2z2 Na2 z 2
C1ax1 C1a x 1
C1ay1 C1a y 1
C1az1 C1a z 1
C1ax2 C1a x 2
C1ay2 C1a y 2
C1az2 C1a z 2
C1ax3 C1a x 3
C1ay3 C1a y 3
C1az3 C1a z 3
C1ax4 C1a x 4
C1ay4 C1a y 4
C1az4 C1a z 4
C2ax1 C2a x 1
C2ay1 C2a y 1
C2az1 C2a z 1
C2ax2 C2a x 2
C2ay2 C2a y 2
C2az2 C2a z 2
C2ax3 C2a x 3
C2ay3 C2a y 3
C2az3 C2a z 3
C2ax4 C2a x 4
C2ay4 C2a y 4
C2az4 C2a z 4
C3ax1 C3a x 1
C3ay1 C3a y 1
C3az1 C3a z 1
C3ax2 C3a x 2
C3ay2 C3a y 2
C3az2 C3a z 2
C3ax3 C3a x 3
C3ay3 C3a y 3
C3az3 C3a z 3
C3ax4 C3a x 4
C3ay4 C3a y 4
C3az4 C3a z 4
C4ax1 C4a x 1
C4ay1 C4a y 1
C4az1 C4a z 1
C4ax2 C4a x 2
C4ay2 C4a y 2
C4az2 C4a z 2
C4ax3 C4a x 3
C4ay3 C4a y 3
C4az3 C4a z 3
C4ax4 C4a x 4
C4ay4 C4a y 4
C4az4 C4a z 4
C5ax1 C5a x 1
C5ay1 C5a y 1
C5az1 C5a z 1
C5ax2 C5a x 2
C5ay2 C5a y 2
C5az2 C5a z 2
C5ax3 C5a x 3
C5ay3 C5a y 3
C5az3 C5a z 3
C5ax4 C5a x 4
C5ay4 C5a y 4
C5az4 C5a z 4
C6ax1 C6a x 1
C6ay1 C6a y 1
C6az1 C6a z 1
C6ax2 C6a x 2
C6ay2 C6a y 2
C6az2 C6a z 2
C6ax3 C6a x 3
C6ay3 C6a y 3
C6az3 C6a z 3
C6ax4 C6a x 4
C6ay4 C6a y 4
C6az4 C6a z 4
H1c3ax1 H1c3a x 1
H1c3ay1 H1c3a y 1
H1c3az1 H1c3a z 1
H1c3ax2 H1c3a x 2
H1c3ay2 H1c3a y 2
H1c3az2 H1c3a z 2
H1c3ax3 H1c3a x 3
H1c3ay3 H1c3a y 3
H1c3az3 H1c3a z 3
H1c3ax4 H1c3a x 4
H1c3ay4 H1c3a y 4
H1c3az4 H1c3a z 4
H1c4ax1 H1c4a x 1
H1c4ay1 H1c4a y 1
H1c4az1 H1c4a z 1
H1c4ax2 H1c4a x 2
H1c4ay2 H1c4a y 2
H1c4az2 H1c4a z 2
H1c4ax3 H1c4a x 3
H1c4ay3 H1c4a y 3
H1c4az3 H1c4a z 3
H1c4ax4 H1c4a x 4
H1c4ay4 H1c4a y 4
H1c4az4 H1c4a z 4
H1c5ax1 H1c5a x 1
H1c5ay1 H1c5a y 1
H1c5az1 H1c5a z 1
H1c5ax2 H1c5a x 2
H1c5ay2 H1c5a y 2
H1c5az2 H1c5a z 2
H1c5ax3 H1c5a x 3
H1c5ay3 H1c5a y 3
H1c5az3 H1c5a z 3
H1c5ax4 H1c5a x 4
H1c5ay4 H1c5a y 4
H1c5az4 H1c5a z 4
H1c6ax1 H1c6a x 1
H1c6ay1 H1c6a y 1
H1c6az1 H1c6a z 1
H1c6ax2 H1c6a x 2
H1c6ay2 H1c6a y 2
H1c6az2 H1c6a z 2
H1c6ax3 H1c6a x 3
H1c6ay3 H1c6a y 3
H1c6az3 H1c6a z 3
H1c6ax4 H1c6a x 4
H1c6ay4 H1c6a y 4
H1c6az4 H1c6a z 4
C1bx1 C1b x 1
C1by1 C1b y 1
C1bz1 C1b z 1
C1bx2 C1b x 2
C1by2 C1b y 2
C1bz2 C1b z 2
C1bx3 C1b x 3
C1by3 C1b y 3
C1bz3 C1b z 3
C2bx1 C2b x 1
C2by1 C2b y 1
C2bz1 C2b z 1
C2bx2 C2b x 2
C2by2 C2b y 2
C2bz2 C2b z 2
C2bx3 C2b x 3
C2by3 C2b y 3
C2bz3 C2b z 3
C3bx1 C3b x 1
C3by1 C3b y 1
C3bz1 C3b z 1
C3bx2 C3b x 2
C3by2 C3b y 2
C3bz2 C3b z 2
C3bx3 C3b x 3
C3by3 C3b y 3
C3bz3 C3b z 3
C4bx1 C4b x 1
C4by1 C4b y 1
C4bz1 C4b z 1
C4bx2 C4b x 2
C4by2 C4b y 2
C4bz2 C4b z 2
C4bx3 C4b x 3
C4by3 C4b y 3
C4bz3 C4b z 3
C5bx1 C5b x 1
C5by1 C5b y 1
C5bz1 C5b z 1
C5bx2 C5b x 2
C5by2 C5b y 2
C5bz2 C5b z 2
C5bx3 C5b x 3
C5by3 C5b y 3
C5bz3 C5b z 3
C6bx1 C6b x 1
C6by1 C6b y 1
C6bz1 C6b z 1
C6bx2 C6b x 2
C6by2 C6b y 2
C6bz2 C6b z 2
C6bx3 C6b x 3
C6by3 C6b y 3
C6bz3 C6b z 3
H1c3bx1 H1c3b x 1
H1c3by1 H1c3b y 1
H1c3bz1 H1c3b z 1
H1c3bx2 H1c3b x 2
H1c3by2 H1c3b y 2
H1c3bz2 H1c3b z 2
H1c3bx3 H1c3b x 3
H1c3by3 H1c3b y 3
H1c3bz3 H1c3b z 3
H1c4bx1 H1c4b x 1
H1c4by1 H1c4b y 1
H1c4bz1 H1c4b z 1
H1c4bx2 H1c4b x 2
H1c4by2 H1c4b y 2
H1c4bz2 H1c4b z 2
H1c4bx3 H1c4b x 3
H1c4by3 H1c4b y 3
H1c4bz3 H1c4b z 3
H1c5bx1 H1c5b x 1
H1c5by1 H1c5b y 1
H1c5bz1 H1c5b z 1
H1c5bx2 H1c5b x 2
H1c5by2 H1c5b y 2
H1c5bz2 H1c5b z 2
H1c5bx3 H1c5b x 3
H1c5by3 H1c5b y 3
H1c5bz3 H1c5b z 3
H1c6bx1 H1c6b x 1
H1c6by1 H1c6b y 1
H1c6bz1 H1c6b z 1
H1c6bx2 H1c6b x 2
H1c6by2 H1c6b y 2
H1c6bz2 H1c6b z 2
H1c6bx3 H1c6b x 3
H1c6by3 H1c6b y 3
H1c6bz3 H1c6b z 3

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
S1ax1 -0.003045(12) 0.001488(12)
S1ay1 0.01933(4) -0.00896(4)
S1az1 -0.001226(9) 0.000393(9)
S1ax2 0.007155(12) 0.003874(12)
S1ay2 0.00027(4) 0.02541(4)
S1az2 -0.000646(8) -0.001678(9)
S1ax3 -0.003615(12) 0.016762(12)
S1ay3 -0.01357(4) 0.00399(4)
S1az3 -0.000581(9) 0.003163(9)
S1ax4 0 -0.001155(10)
S1ay4 0 -0.01099(3)
S1az4 0 -0.000361(7)
O1ax1 0.00010(4) -0.00189(4)
O1ay1 0.02194(11) 0.00531(11)
O1az1 0.00290(3) -0.00013(3)
O1ax2 -0.00633(4) 0.00577(4)
O1ay2 -0.02970(11) -0.00182(11)
O1az2 0.00130(3) -0.00040(3)
O1ax3 -0.00824(4) -0.01486(4)
O1ay3 0.00965(12) -0.01311(11)
O1az3 -0.00236(3) -0.00305(3)
O1ax4 0 0.00286(3)
O1ay4 0 0.01422(9)
O1az4 0 0.00025(2)
O2ax1 -0.00298(4) 0.00307(4)
O2ay1 0.00401(11) -0.01913(11)
O2az1 -0.00378(3) 0.00170(3)
O2ax2 0.00109(4) -0.00749(4)
O2ay2 0.02886(11) 0.00168(11)
O2az2 -0.00165(3) 0.00226(3)
O2ax3 0.01356(4) -0.01174(4)
O2ay3 0.01225(11) 0.00881(11)
O2az3 0.00200(3) -0.00142(3)
O2ax4 0 -0.00020(3)
O2ay4 0 0.01288(8)
O2az4 0 0.00070(2)
O3ax1 -0.00353(3) 0.01563(4)
O3ay1 0.03733(11) -0.00050(11)
O3az1 -0.00187(2) 0.00738(3)
O3ax2 0.01161(4) 0.00059(4)
O3ay2 0.01356(11) 0.00522(11)
O3az2 0.00020(2) -0.00200(3)
O3ax3 0.00077(4) 0.01531(4)
O3ay3 -0.00528(11) 0.02154(11)
O3az3 0.00037(3) 0.00222(2)
O3ax4 0 0.00048(3)
O3ay4 0 -0.00307(8)
O3az4 0 0.000338(17)
N1ax1 -0.00318(4) 0.00955(4)
N1ay1 0.02936(13) -0.01006(12)
N1az1 -0.00156(3) 0.00180(3)
N1ax2 0.00973(4) 0.00134(4)
N1ay2 0.01013(12) 0.02013(13)
N1az2 -0.00093(3) -0.00146(3)
N1ax3 0.00079(4) 0.01621(4)
N1ay3 -0.00964(13) 0.01166(13)
N1az3 0.00018(3) 0.00299(3)
N1ax4 0 -0.00022(3)
N1ay4 0 -0.00874(9)
N1az4 0 -0.00027(2)
C7ax1 -0.00387(5) 0.01046(5)
C7ay1 0.02742(14) -0.00255(14)
C7az1 -0.00176(3) 0.00583(3)
C7ax2 0.00999(5) 0.00262(5)
C7ay2 0.01036(14) 0.01195(14)
C7az2 0.00017(3) -0.00195(4)
C7ax3 -0.00197(5) 0.01594(5)
C7ay3 -0.00907(15) 0.01362(14)
C7az3 -0.00016(4) 0.00245(3)
C7ax4 0 -0.00017(4)
C7ay4 0 -0.00479(11)
C7az4 0 0.00011(3)
S1bx1 -0.001192(13) 0.02441(2)
S1by1 -0.03943(4) -0.01117(6)
S1bz1 0.002660(9) 0.004291(16)
S1bx2 -0.012673(19) 0.004035(15)
S1by2 0.02304(6) -0.05771(4)
S1bz2 -0.007007(14) 0.003919(11)
S1bx3 -0.006796(16) 0.004410(17)
S1by3 0.02224(5) 0.00757(5)
S1bz3 0.000415(12) -0.001837(13)
O1bx1 0.02697(6) 0.01224(5)
O1by1 -0.05116(17) 0.03706(14)
O1bz1 0.00710(4) 0.00457(4)
O1bx2 0.01496(4) 0.01843(6)
O1by2 -0.07847(13) -0.03626(18)
O1bz2 0.00264(3) 0.00916(5)
O1bx3 0.00950(4) 0.00345(6)
O1by3 -0.00833(11) -0.02489(18)
O1bz3 -0.00243(3) 0.00001(5)
O2bx1 -0.03064(5) 0.00986(6)
O2by1 -0.02878(13) -0.04949(17)
O2bz1 -0.00484(3) 0.00647(4)
O2bx2 0.00637(5) -0.00897(6)
O2by2 0.07826(13) 0.02982(16)
O2bz2 -0.00707(3) -0.00816(4)
O2bx3 0.00180(7) -0.00733(4)
O2by3 -0.02262(19) 0.01414(11)
O2bz3 0.00308(5) 0.00128(3)
O3bx1 0.00448(4) 0.02326(6)
O3by1 0.05029(13) -0.00531(17)
O3bz1 0.00538(3) -0.01541(4)
O3bx2 -0.01203(5) 0.01069(5)
O3by2 -0.00381(15) 0.01354(16)
O3bz2 0.00044(3) -0.00160(4)
O3bx3 -0.00479(5) 0.00535(4)
O3by3 0.01066(17) 0.00758(12)
O3bz3 0.00264(4) 0.00071(3)
N1bx1 0.00339(5) 0.02982(7)
N1by1 -0.00107(14) -0.0112(2)
N1bz1 0.00435(3) -0.00324(5)
N1bx2 -0.01421(6) 0.01135(6)
N1by2 0.00319(18) -0.03379(17)
N1bz2 -0.00352(4) 0.00292(4)
N1bx3 -0.00582(6) 0.00509(5)
N1by3 0.0234(2) 0.00271(14)
N1bz3 0.00092(5) -0.00073(3)
C7bx1 0.00229(5) 0.02139(8)
C7by1 0.01987(15) -0.0052(2)
C7bz1 0.00537(4) -0.00853(6)
C7bx2 -0.01171(7) 0.00698(6)
C7by2 0.0002(2) -0.00904(18)
C7bz2 -0.00182(5) 0.00088(5)
C7bx3 -0.00526(7) 0.00534(6)
C7by3 0.0140(2) 0.00497(17)
C7bz3 0.00133(5) -0.00002(4)
O28wx1 -0.02785(5) 0.00807(5)
O28wy1 0.00858(14) 0.00301(13)
O28wz1 0.00859(4) 0.00188(4)
O28wx2 -0.00761(4) 0.00056(6)
O28wy2 0.00629(11) -0.02485(16)
O28wz2 -0.00240(3) 0.00059(4)
O28wx3 0.00099(4) -0.00977(6)
O28wy3 0.00861(12) -0.02554(15)
O28wz3 -0.00658(3) -0.00357(4)
O28wx4 0 -0.00158(9)
O28wy4 0 -0.0176(2)
O28wz4 0 -0.00926(7)
O28w'x1 -0.02785(5) 0.00807(5)
O28w'y1 0.00858(14) 0.00301(13)
O28w'z1 0.00859(4) 0.00188(4)
O28w'x2 -0.00761(4) 0.00056(6)
O28w'y2 0.00629(11) -0.02485(16)
O28w'z2 -0.00240(3) 0.00059(4)
O28w'x3 0.00099(4) -0.00977(6)
O28w'y3 0.00861(12) -0.02554(15)
O28w'z3 -0.00658(3) -0.00357(4)
O28w'x4 0 -0.00158(9)
O28w'y4 0 -0.0176(2)
O28w'z4 0 -0.00926(7)
O18wx1 0.02257(6) 0.02265(4)
O18wy1 -0.03178(16) -0.00089(11)
O18wz1 -0.00841(4) 0.00454(3)
O18wx2 0.00381(6) 0.00166(5)
O18wy2 -0.00816(14) 0.00186(13)
O18wz2 -0.00368(4) 0.00091(3)
O18wx3 0.00005(6) -0.02189(4)
O18wy3 -0.00937(15) 0.01452(12)
O18wz3 -0.00148(4) -0.00385(3)
O18wx4 0.00249(4) 0
O18wy4 -0.00161(10) 0
O18wz4 0.00166(3) 0
O18w'x1 0.02257(6) 0.02265(4)
O18w'y1 -0.03178(16) -0.00089(11)
O18w'z1 -0.00841(4) 0.00454(3)
O18w'x2 0.00381(6) 0.00166(5)
O18w'y2 -0.00816(14) 0.00186(13)
O18w'z2 -0.00368(4) 0.00091(3)
O18w'x3 0.00005(6) -0.02189(4)
O18w'y3 -0.00937(15) 0.01452(12)
O18w'z3 -0.00148(4) -0.00385(3)
O18w'x4 0.00249(4) 0
O18w'y4 -0.00161(10) 0
O18w'z4 0.00166(3) 0
O19w'x1 0.02257(6) 0.02265(4)
O19w'y1 -0.03178(16) -0.00089(11)
O19w'z1 -0.00841(4) 0.00454(3)
O19w'x2 0.00381(6) 0.00166(5)
O19w'y2 -0.00816(14) 0.00186(13)
O19w'z2 -0.00368(4) 0.00091(3)
O19w'x3 0.00005(6) -0.02189(4)
O19w'y3 -0.00937(15) 0.01452(12)
O19w'z3 -0.00148(4) -0.00385(3)
O19w'x4 0.00249(4) 0
O19w'y4 -0.00161(10) 0
O19w'z4 0.00166(3) 0
O24wx1 -0.00022(4) 0.00317(6)
O24wy1 -0.00318(12) -0.01523(15)
O24wz1 0.00015(3) 0.00703(4)
O24wx2 0.00519(5) 0.00383(4)
O24wy2 0.00877(15) -0.01458(13)
O24wz2 0.00278(4) 0.00115(3)
O24wx3 -0.00510(5) 0.01313(5)
O24wy3 0.01890(14) 0.00889(14)
O24wz3 0.00122(3) 0.00224(3)
O24wx4 0 -0.00154(4)
O24wy4 0 0.03034(11)
O24wz4 0 -0.00087(3)
O24w'x1 -0.00022(4) 0.00317(6)
O24w'y1 -0.00318(12) -0.01523(15)
O24w'z1 0.00015(3) 0.00703(4)
O24w'x2 0.00519(5) 0.00383(4)
O24w'y2 0.00877(15) -0.01458(13)
O24w'z2 0.00278(4) 0.00115(3)
O24w'x3 -0.00510(5) 0.01313(5)
O24w'y3 0.01890(14) 0.00889(14)
O24w'z3 0.00122(3) 0.00224(3)
O24w'x4 0 -0.00154(4)
O24w'y4 0 0.03034(11)
O24w'z4 0 -0.00087(3)
O23wx1 -0.00911(4) 0.03151(13)
O23wy1 -0.08834(14) 0.0275(4)
O23wz1 0.00088(3) 0.00172(10)
O23wx2 -0.04335(10) -0.03297(6)
O23wy2 -0.0364(3) -0.01747(17)
O23wz2 0.01121(7) 0.00713(4)
O23wx3 0 0.00894(7)
O23wy3 0 -0.0369(2)
O23wz3 0 0.00389(5)
Na6x1 -0.00789(3) 0.03518(7)
Na6y1 -0.06291(8) 0.0471(2)
Na6z1 -0.000178(19) 0.00253(6)
Na6x2 -0.02005(6) -0.01063(3)
Na6y2 -0.04182(17) -0.01424(9)
Na6z2 0.00566(4) 0.00357(2)
Na6x3 0 0.00284(4)
Na6y3 0 -0.03732(11)
Na6z3 0 0.00439(3)
Na2x1 -0.01511(11) 0.01850(13)
Na2y1 0.0924(3) 0.2393(4)
Na2z1 0.00489(8) 0.00139(10)
Na2x2 -0.02007(4) -0.00132(9)
Na2y2 -0.07562(12) 0.0535(3)
Na2z2 0.00034(3) 0.00067(7)
C1ax1 -0.00234(3) -0.00134(3)
C1ay1 0.01083(10) -0.00324(10)
C1az1 -0.002184(19) 0.005370(19)
C1ax2 0.00562(3) 0.00627(3)
C1ay2 -0.00275(10) 0.01477(10)
C1az2 0.001101(19) -0.001666(19)
C1ax3 -0.01072(3) 0.01375(3)
C1ay3 -0.01006(10) 0.00127(10)
C1az3 -0.001625(19) 0.002118(19)
C1ax4 -0.00397(5) -0.00910(12)
C1ay4 -0.01233(19) -0.0283(4)
C1az4 0.00021(4) 0.00048(8)
C2ax1 -0.00344(3) 0.00392(3)
C2ay1 0.01336(10) 0.00118(10)
C2az1 -0.002539(19) 0.00782(2)
C2ax2 0.00743(3) 0.00593(3)
C2ay2 0.00578(10) 0.01059(10)
C2az2 0.001586(19) -0.001675(19)
C2ax3 -0.00889(3) 0.01402(3)
C2ay3 -0.00969(10) 0.00613(10)
C2az3 -0.001191(19) 0.001905(19)
C2ax4 -0.00330(6) -0.00556(11)
C2ay4 -0.0079(2) -0.0133(4)
C2az4 0.00102(5) 0.00171(8)
C3ax1 -0.00344(3) 0.00309(3)
C3ay1 0.00614(10) 0.00595(10)
C3az1 -0.004245(18) 0.011438(18)
C3ax2 0.00574(3) 0.00754(3)
C3ay2 0.00947(10) 0.00533(10)
C3az2 0.003035(18) -0.000989(18)
C3ax3 -0.01282(3) 0.01060(3)
C3ay3 -0.00832(10) 0.00694(10)
C3az3 -0.001301(18) 0.001086(18)
C3ax4 -0.001056(18) -0.00789(14)
C3ay4 0.00201(6) 0.0151(5)
C3az4 0.000559(11) 0.00418(8)
C4ax1 -0.00108(3) -0.00277(3)
C4ay1 -0.00359(10) 0.00374(10)
C4az1 -0.006048(19) 0.012232(19)
C4ax2 0.00188(3) 0.00822(3)
C4ay2 0.00600(10) 0.00369(10)
C4az2 0.003679(19) 0.000129(19)
C4ax3 -0.01684(3) 0.00485(3)
C4ay3 -0.00690(10) 0.00463(10)
C4az3 -0.001524(19) 0.000438(19)
C4ax4 0.00502(5) -0.01202(12)
C4ay4 -0.01144(18) 0.0274(4)
C4az4 -0.00189(3) 0.00453(8)
C5ax1 0.00137(3) -0.00751(3)
C5ay1 -0.00489(10) -0.00167(10)
C5az1 -0.005280(19) 0.009828(19)
C5ax2 0.00014(3) 0.00759(3)
C5ay2 -0.00306(10) 0.00401(10)
C5az2 0.003171(19) 0.000005(19)
C5ax3 -0.01804(3) 0.00336(3)
C5ay3 -0.00468(10) 0.00100(10)
C5az3 -0.001981(19) 0.000380(19)
C5ax4 0.00820(6) -0.01429(11)
C5ay4 -0.0069(2) 0.0121(4)
C5az4 -0.00170(4) 0.00296(8)
C6ax1 0.00020(3) -0.00719(3)
C6ay1 0.00221(10) -0.00419(10)
C6az1 -0.003075(18) 0.006440(19)
C6ax2 0.00205(3) 0.00720(3)
C6ay2 -0.00890(10) 0.00999(10)
C6az2 0.002003(18) -0.001113(18)
C6ax3 -0.01608(3) 0.00881(3)
C6ay3 -0.00614(10) -0.00209(10)
C6az3 -0.002243(18) 0.001258(18)
C6ax4 0.001702(16) -0.01488(14)
C6ay4 0.00192(5) -0.0168(5)
C6az4 -0.000133(10) 0.00117(8)
H1c3ax1 -0.00440(4) 0.00669(4)
H1c3ay1 0.00774(15) 0.00929(15)
H1c3az1 -0.00451(2) 0.01318(2)
H1c3ax2 0.00702(4) 0.00748(4)
H1c3ay2 0.01543(14) 0.00276(15)
H1c3az2 0.00340(2) -0.00100(2)
H1c3ax3 -0.01170(4) 0.01099(4)
H1c3ay3 -0.00835(15) 0.01015(15)
H1c3az3 -0.00102(2) 0.00096(2)
H1c3ax4 -0.00119(4) -0.00545(18)
H1c3ay4 0.00558(15) 0.0256(7)
H1c3az4 0.00112(2) 0.00514(10)
H1c4ax1 -0.00050(3) -0.00321(3)
H1c4ay1 -0.00924(15) 0.00473(15)
H1c4az1 -0.00808(2) 0.01431(3)
H1c4ax2 0.00039(3) 0.00844(3)
H1c4ay2 0.01082(15) 0.00210(15)
H1c4az2 0.00427(2) 0.00117(2)
H1c4ax3 -0.01753(3) 0.00106(3)
H1c4ay3 -0.00766(15) 0.00645(15)
H1c4az3 -0.00120(2) 0.00005(2)
H1c4ax4 0.00887(10) -0.01101(13)
H1c4ay4 -0.0320(4) 0.0398(5)
H1c4az4 -0.00405(7) 0.00503(9)
H1c5ax1 0.00440(3) -0.01076(4)
H1c5ay1 -0.01064(15) -0.00485(15)
H1c5az1 -0.00657(2) 0.01033(3)
H1c5ax2 -0.00233(3) 0.00683(3)
H1c5ay2 -0.00405(15) 0.00042(15)
H1c5az2 0.00341(2) 0.00090(2)
H1c5ax3 -0.01886(3) -0.00204(3)
H1c5ay3 -0.00297(15) 0.00154(15)
H1c5az3 -0.00192(2) -0.00020(2)
H1c5ax4 0.01564(13) -0.01244(10)
H1c5ay4 -0.0192(6) 0.0153(4)
H1c5az4 -0.00308(9) 0.00245(7)
H1c6ax1 0.00171(4) -0.01057(4)
H1c6ay1 0.00121(15) -0.00775(15)
H1c6az1 -0.00253(2) 0.00476(2)
H1c6ax2 0.00085(4) 0.00690(4)
H1c6ay2 -0.01538(15) 0.01063(15)
H1c6az2 0.00166(2) -0.00122(2)
H1c6ax3 -0.01710(4) 0.00806(4)
H1c6ay3 -0.00474(15) -0.00491(15)
H1c6az3 -0.00258(2) 0.00125(2)
H1c6ax4 0.00333(4) -0.01703(19)
H1c6ay4 0.00538(14) -0.0275(7)
H1c6az4 -0.00002(2) 0.00012(10)
C1bx1 -0.00021(3) 0.00964(5)
C1by1 -0.01979(10) -0.00887(18)
C1bz1 0.003831(17) 0.00142(3)
C1bx2 -0.00634(5) -0.00188(3)
C1by2 0.02052(17) -0.02559(11)
C1bz2 -0.00627(3) 0.001574(18)
C1bx3 -0.00749(3) 0.00358(5)
C1by3 0.01141(11) 0.00584(17)
C1bz3 0.001138(18) -0.00124(3)
C2bx1 0.00083(3) 0.01055(5)
C2by1 0.00395(10) -0.00133(18)
C2bz1 0.006030(18) -0.00590(3)
C2bx2 -0.00718(5) -0.00036(3)
C2by2 0.00477(17) -0.00900(11)
C2bz2 -0.00297(3) 0.000512(19)
C2bx3 -0.00679(4) 0.00478(5)
C2by3 0.00886(12) 0.00362(17)
C2bz3 0.00109(2) -0.00010(3)
C3bx1 0.00251(2) 0.00144(4)
C3by1 0.01804(10) 0.00622(18)
C3bz1 0.00822(2) -0.00958(4)
C3bx2 -0.00219(4) -0.00378(2)
C3by2 -0.00732(17) 0.00721(11)
C3bz2 -0.00107(4) -0.00062(2)
C3bx3 -0.00796(2) 0.00445(4)
C3by3 0.00234(11) -0.00072(17)
C3bz3 0.00085(2) 0.00080(4)
C4bx1 0.00602(3) -0.00779(5)
C4by1 0.00668(10) 0.00574(18)
C4bz1 0.007996(17) -0.00552(3)
C4bx2 0.00519(5) -0.00518(3)
C4by2 -0.00612(17) 0.00357(11)
C4bz2 -0.00251(3) -0.000697(18)
C4bx3 -0.00997(3) 0.00201(5)
C4by3 0.00333(11) -0.00540(17)
C4bz3 0.000705(18) 0.00035(3)
C5bx1 0.00630(3) -0.00829(5)
C5by1 -0.01507(10) -0.00719(18)
C5bz1 0.004158(18) 0.00113(3)
C5bx2 0.00662(5) -0.00473(3)
C5by2 0.01466(17) -0.00582(11)
C5bz2 -0.00598(3) -0.001225(19)
C5bx3 -0.01020(3) 0.00036(5)
C5by3 0.00639(12) -0.00191(17)
C5bz3 0.00156(2) -0.00051(3)
C6bx1 0.00177(2) -0.00005(4)
C6by1 -0.02877(11) -0.01481(18)
C6bz1 0.00201(2) 0.00480(4)
C6bx2 0.00049(4) -0.00493(2)
C6by2 0.03053(18) -0.01977(11)
C6bz2 -0.00816(4) -0.00005(2)
C6bx3 -0.00901(2) 0.00154(4)
C6by3 0.00816(11) 0.00455(18)
C6bz3 0.00181(2) -0.00139(4)
H1c3bx1 0.00286(2) 0.00188(4)
H1c3by1 0.03506(15) 0.0106(3)
H1c3bz1 0.00951(3) -0.01481(5)
H1c3bx2 -0.00296(4) -0.00316(2)
H1c3by2 -0.0166(3) 0.02030(16)
H1c3bz2 0.00113(5) -0.00161(3)
H1c3bx3 -0.00739(2) 0.00535(4)
H1c3by3 -0.00022(17) -0.0014(3)
H1c3bz3 0.00096(3) 0.00163(5)
H1c4bx1 0.00973(4) -0.01332(7)
H1c4by1 0.01438(16) 0.0130(3)
H1c4bz1 0.01007(2) -0.00751(4)
H1c4bx2 0.00959(7) -0.00439(5)
H1c4by2 -0.0194(3) 0.00821(17)
H1c4bz2 -0.00105(3) -0.00083(2)
H1c4bx3 -0.01097(5) 0.00087(7)
H1c4by3 0.00428(18) -0.0105(2)
H1c4bz3 0.00026(2) 0.00070(3)
H1c5bx1 0.01087(4) -0.01378(7)
H1c5by1 -0.02045(16) -0.0117(3)
H1c5bz1 0.00272(2) 0.00310(4)
H1c5bx2 0.01171(6) -0.00245(5)
H1c5by2 0.0173(2) -0.00257(19)
H1c5bz2 -0.00667(3) -0.00265(3)
H1c5bx3 -0.01087(6) -0.00213(6)
H1c5by3 0.0091(2) -0.0032(2)
H1c5bz3 0.00204(3) -0.00034(3)
H1c6bx1 0.00158(2) -0.00052(4)
H1c6by1 -0.04344(16) -0.0246(3)
H1c6bz1 -0.00089(3) 0.00930(5)
H1c6bx2 0.00145(4) -0.00506(2)
H1c6by2 0.0463(3) -0.02448(16)
H1c6bz2 -0.01062(5) -0.00068(3)
H1c6bx3 -0.00913(2) 0.00049(4)
H1c6by3 0.00927(17) 0.0073(3)
H1c6bz3 0.00252(3) -0.00192(5)

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
S1aU111 S1a U11 1
S1aU221 S1a U22 1
S1aU331 S1a U33 1
S1aU121 S1a U12 1
S1aU131 S1a U13 1
S1aU231 S1a U23 1
S1aU112 S1a U11 2
S1aU222 S1a U22 2
S1aU332 S1a U33 2
S1aU122 S1a U12 2
S1aU132 S1a U13 2
S1aU232 S1a U23 2
S1aU113 S1a U11 3
S1aU223 S1a U22 3
S1aU333 S1a U33 3
S1aU123 S1a U12 3
S1aU133 S1a U13 3
S1aU233 S1a U23 3
S1aU114 S1a U11 4
S1aU224 S1a U22 4
S1aU334 S1a U33 4
S1aU124 S1a U12 4
S1aU134 S1a U13 4
S1aU234 S1a U23 4
O1aU111 O1a U11 1
O1aU221 O1a U22 1
O1aU331 O1a U33 1
O1aU121 O1a U12 1
O1aU131 O1a U13 1
O1aU231 O1a U23 1
O1aU112 O1a U11 2
O1aU222 O1a U22 2
O1aU332 O1a U33 2
O1aU122 O1a U12 2
O1aU132 O1a U13 2
O1aU232 O1a U23 2
O1aU113 O1a U11 3
O1aU223 O1a U22 3
O1aU333 O1a U33 3
O1aU123 O1a U12 3
O1aU133 O1a U13 3
O1aU233 O1a U23 3
O1aU114 O1a U11 4
O1aU224 O1a U22 4
O1aU334 O1a U33 4
O1aU124 O1a U12 4
O1aU134 O1a U13 4
O1aU234 O1a U23 4
O2aU111 O2a U11 1
O2aU221 O2a U22 1
O2aU331 O2a U33 1
O2aU121 O2a U12 1
O2aU131 O2a U13 1
O2aU231 O2a U23 1
O2aU112 O2a U11 2
O2aU222 O2a U22 2
O2aU332 O2a U33 2
O2aU122 O2a U12 2
O2aU132 O2a U13 2
O2aU232 O2a U23 2
O2aU113 O2a U11 3
O2aU223 O2a U22 3
O2aU333 O2a U33 3
O2aU123 O2a U12 3
O2aU133 O2a U13 3
O2aU233 O2a U23 3
O2aU114 O2a U11 4
O2aU224 O2a U22 4
O2aU334 O2a U33 4
O2aU124 O2a U12 4
O2aU134 O2a U13 4
O2aU234 O2a U23 4
O3aU111 O3a U11 1
O3aU221 O3a U22 1
O3aU331 O3a U33 1
O3aU121 O3a U12 1
O3aU131 O3a U13 1
O3aU231 O3a U23 1
O3aU112 O3a U11 2
O3aU222 O3a U22 2
O3aU332 O3a U33 2
O3aU122 O3a U12 2
O3aU132 O3a U13 2
O3aU232 O3a U23 2
O3aU113 O3a U11 3
O3aU223 O3a U22 3
O3aU333 O3a U33 3
O3aU123 O3a U12 3
O3aU133 O3a U13 3
O3aU233 O3a U23 3
O3aU114 O3a U11 4
O3aU224 O3a U22 4
O3aU334 O3a U33 4
O3aU124 O3a U12 4
O3aU134 O3a U13 4
O3aU234 O3a U23 4
N1aU111 N1a U11 1
N1aU221 N1a U22 1
N1aU331 N1a U33 1
N1aU121 N1a U12 1
N1aU131 N1a U13 1
N1aU231 N1a U23 1
N1aU112 N1a U11 2
N1aU222 N1a U22 2
N1aU332 N1a U33 2
N1aU122 N1a U12 2
N1aU132 N1a U13 2
N1aU232 N1a U23 2
N1aU113 N1a U11 3
N1aU223 N1a U22 3
N1aU333 N1a U33 3
N1aU123 N1a U12 3
N1aU133 N1a U13 3
N1aU233 N1a U23 3
N1aU114 N1a U11 4
N1aU224 N1a U22 4
N1aU334 N1a U33 4
N1aU124 N1a U12 4
N1aU134 N1a U13 4
N1aU234 N1a U23 4
C7aU111 C7a U11 1
C7aU221 C7a U22 1
C7aU331 C7a U33 1
C7aU121 C7a U12 1
C7aU131 C7a U13 1
C7aU231 C7a U23 1
C7aU112 C7a U11 2
C7aU222 C7a U22 2
C7aU332 C7a U33 2
C7aU122 C7a U12 2
C7aU132 C7a U13 2
C7aU232 C7a U23 2
C7aU113 C7a U11 3
C7aU223 C7a U22 3
C7aU333 C7a U33 3
C7aU123 C7a U12 3
C7aU133 C7a U13 3
C7aU233 C7a U23 3
C7aU114 C7a U11 4
C7aU224 C7a U22 4
C7aU334 C7a U33 4
C7aU124 C7a U12 4
C7aU134 C7a U13 4
C7aU234 C7a U23 4
S1bU111 S1b U11 1
S1bU221 S1b U22 1
S1bU331 S1b U33 1
S1bU121 S1b U12 1
S1bU131 S1b U13 1
S1bU231 S1b U23 1
S1bU112 S1b U11 2
S1bU222 S1b U22 2
S1bU332 S1b U33 2
S1bU122 S1b U12 2
S1bU132 S1b U13 2
S1bU232 S1b U23 2
S1bU113 S1b U11 3
S1bU223 S1b U22 3
S1bU333 S1b U33 3
S1bU123 S1b U12 3
S1bU133 S1b U13 3
S1bU233 S1b U23 3
S1b'U111 S1b' U11 1
S1b'U221 S1b' U22 1
S1b'U331 S1b' U33 1
S1b'U121 S1b' U12 1
S1b'U131 S1b' U13 1
S1b'U231 S1b' U23 1
S1b'U112 S1b' U11 2
S1b'U222 S1b' U22 2
S1b'U332 S1b' U33 2
S1b'U122 S1b' U12 2
S1b'U132 S1b' U13 2
S1b'U232 S1b' U23 2
S1b'U113 S1b' U11 3
S1b'U223 S1b' U22 3
S1b'U333 S1b' U33 3
S1b'U123 S1b' U12 3
S1b'U133 S1b' U13 3
S1b'U233 S1b' U23 3
S1b''U111 S1b'' U11 1
S1b''U221 S1b'' U22 1
S1b''U331 S1b'' U33 1
S1b''U121 S1b'' U12 1
S1b''U131 S1b'' U13 1
S1b''U231 S1b'' U23 1
S1b''U112 S1b'' U11 2
S1b''U222 S1b'' U22 2
S1b''U332 S1b'' U33 2
S1b''U122 S1b'' U12 2
S1b''U132 S1b'' U13 2
S1b''U232 S1b'' U23 2
S1b''U113 S1b'' U11 3
S1b''U223 S1b'' U22 3
S1b''U333 S1b'' U33 3
S1b''U123 S1b'' U12 3
S1b''U133 S1b'' U13 3
S1b''U233 S1b'' U23 3
O1bU111 O1b U11 1
O1bU221 O1b U22 1
O1bU331 O1b U33 1
O1bU121 O1b U12 1
O1bU131 O1b U13 1
O1bU231 O1b U23 1
O1bU112 O1b U11 2
O1bU222 O1b U22 2
O1bU332 O1b U33 2
O1bU122 O1b U12 2
O1bU132 O1b U13 2
O1bU232 O1b U23 2
O1bU113 O1b U11 3
O1bU223 O1b U22 3
O1bU333 O1b U33 3
O1bU123 O1b U12 3
O1bU133 O1b U13 3
O1bU233 O1b U23 3
O1b'U111 O1b' U11 1
O1b'U221 O1b' U22 1
O1b'U331 O1b' U33 1
O1b'U121 O1b' U12 1
O1b'U131 O1b' U13 1
O1b'U231 O1b' U23 1
O1b'U112 O1b' U11 2
O1b'U222 O1b' U22 2
O1b'U332 O1b' U33 2
O1b'U122 O1b' U12 2
O1b'U132 O1b' U13 2
O1b'U232 O1b' U23 2
O1b'U113 O1b' U11 3
O1b'U223 O1b' U22 3
O1b'U333 O1b' U33 3
O1b'U123 O1b' U12 3
O1b'U133 O1b' U13 3
O1b'U233 O1b' U23 3
O1b''U111 O1b'' U11 1
O1b''U221 O1b'' U22 1
O1b''U331 O1b'' U33 1
O1b''U121 O1b'' U12 1
O1b''U131 O1b'' U13 1
O1b''U231 O1b'' U23 1
O1b''U112 O1b'' U11 2
O1b''U222 O1b'' U22 2
O1b''U332 O1b'' U33 2
O1b''U122 O1b'' U12 2
O1b''U132 O1b'' U13 2
O1b''U232 O1b'' U23 2
O1b''U113 O1b'' U11 3
O1b''U223 O1b'' U22 3
O1b''U333 O1b'' U33 3
O1b''U123 O1b'' U12 3
O1b''U133 O1b'' U13 3
O1b''U233 O1b'' U23 3
O2bU111 O2b U11 1
O2bU221 O2b U22 1
O2bU331 O2b U33 1
O2bU121 O2b U12 1
O2bU131 O2b U13 1
O2bU231 O2b U23 1
O2bU112 O2b U11 2
O2bU222 O2b U22 2
O2bU332 O2b U33 2
O2bU122 O2b U12 2
O2bU132 O2b U13 2
O2bU232 O2b U23 2
O2bU113 O2b U11 3
O2bU223 O2b U22 3
O2bU333 O2b U33 3
O2bU123 O2b U12 3
O2bU133 O2b U13 3
O2bU233 O2b U23 3
O2b'U111 O2b' U11 1
O2b'U221 O2b' U22 1
O2b'U331 O2b' U33 1
O2b'U121 O2b' U12 1
O2b'U131 O2b' U13 1
O2b'U231 O2b' U23 1
O2b'U112 O2b' U11 2
O2b'U222 O2b' U22 2
O2b'U332 O2b' U33 2
O2b'U122 O2b' U12 2
O2b'U132 O2b' U13 2
O2b'U232 O2b' U23 2
O2b'U113 O2b' U11 3
O2b'U223 O2b' U22 3
O2b'U333 O2b' U33 3
O2b'U123 O2b' U12 3
O2b'U133 O2b' U13 3
O2b'U233 O2b' U23 3
O2b''U111 O2b'' U11 1
O2b''U221 O2b'' U22 1
O2b''U331 O2b'' U33 1
O2b''U121 O2b'' U12 1
O2b''U131 O2b'' U13 1
O2b''U231 O2b'' U23 1
O2b''U112 O2b'' U11 2
O2b''U222 O2b'' U22 2
O2b''U332 O2b'' U33 2
O2b''U122 O2b'' U12 2
O2b''U132 O2b'' U13 2
O2b''U232 O2b'' U23 2
O2b''U113 O2b'' U11 3
O2b''U223 O2b'' U22 3
O2b''U333 O2b'' U33 3
O2b''U123 O2b'' U12 3
O2b''U133 O2b'' U13 3
O2b''U233 O2b'' U23 3
O3bU111 O3b U11 1
O3bU221 O3b U22 1
O3bU331 O3b U33 1
O3bU121 O3b U12 1
O3bU131 O3b U13 1
O3bU231 O3b U23 1
O3bU112 O3b U11 2
O3bU222 O3b U22 2
O3bU332 O3b U33 2
O3bU122 O3b U12 2
O3bU132 O3b U13 2
O3bU232 O3b U23 2
O3bU113 O3b U11 3
O3bU223 O3b U22 3
O3bU333 O3b U33 3
O3bU123 O3b U12 3
O3bU133 O3b U13 3
O3bU233 O3b U23 3
O3b'U111 O3b' U11 1
O3b'U221 O3b' U22 1
O3b'U331 O3b' U33 1
O3b'U121 O3b' U12 1
O3b'U131 O3b' U13 1
O3b'U231 O3b' U23 1
O3b'U112 O3b' U11 2
O3b'U222 O3b' U22 2
O3b'U332 O3b' U33 2
O3b'U122 O3b' U12 2
O3b'U132 O3b' U13 2
O3b'U232 O3b' U23 2
O3b'U113 O3b' U11 3
O3b'U223 O3b' U22 3
O3b'U333 O3b' U33 3
O3b'U123 O3b' U12 3
O3b'U133 O3b' U13 3
O3b'U233 O3b' U23 3
O3b''U111 O3b'' U11 1
O3b''U221 O3b'' U22 1
O3b''U331 O3b'' U33 1
O3b''U121 O3b'' U12 1
O3b''U131 O3b'' U13 1
O3b''U231 O3b'' U23 1
O3b''U112 O3b'' U11 2
O3b''U222 O3b'' U22 2
O3b''U332 O3b'' U33 2
O3b''U122 O3b'' U12 2
O3b''U132 O3b'' U13 2
O3b''U232 O3b'' U23 2
O3b''U113 O3b'' U11 3
O3b''U223 O3b'' U22 3
O3b''U333 O3b'' U33 3
O3b''U123 O3b'' U12 3
O3b''U133 O3b'' U13 3
O3b''U233 O3b'' U23 3
N1bU111 N1b U11 1
N1bU221 N1b U22 1
N1bU331 N1b U33 1
N1bU121 N1b U12 1
N1bU131 N1b U13 1
N1bU231 N1b U23 1
N1bU112 N1b U11 2
N1bU222 N1b U22 2
N1bU332 N1b U33 2
N1bU122 N1b U12 2
N1bU132 N1b U13 2
N1bU232 N1b U23 2
N1bU113 N1b U11 3
N1bU223 N1b U22 3
N1bU333 N1b U33 3
N1bU123 N1b U12 3
N1bU133 N1b U13 3
N1bU233 N1b U23 3
N1b'U111 N1b' U11 1
N1b'U221 N1b' U22 1
N1b'U331 N1b' U33 1
N1b'U121 N1b' U12 1
N1b'U131 N1b' U13 1
N1b'U231 N1b' U23 1
N1b'U112 N1b' U11 2
N1b'U222 N1b' U22 2
N1b'U332 N1b' U33 2
N1b'U122 N1b' U12 2
N1b'U132 N1b' U13 2
N1b'U232 N1b' U23 2
N1b'U113 N1b' U11 3
N1b'U223 N1b' U22 3
N1b'U333 N1b' U33 3
N1b'U123 N1b' U12 3
N1b'U133 N1b' U13 3
N1b'U233 N1b' U23 3
N1b''U111 N1b'' U11 1
N1b''U221 N1b'' U22 1
N1b''U331 N1b'' U33 1
N1b''U121 N1b'' U12 1
N1b''U131 N1b'' U13 1
N1b''U231 N1b'' U23 1
N1b''U112 N1b'' U11 2
N1b''U222 N1b'' U22 2
N1b''U332 N1b'' U33 2
N1b''U122 N1b'' U12 2
N1b''U132 N1b'' U13 2
N1b''U232 N1b'' U23 2
N1b''U113 N1b'' U11 3
N1b''U223 N1b'' U22 3
N1b''U333 N1b'' U33 3
N1b''U123 N1b'' U12 3
N1b''U133 N1b'' U13 3
N1b''U233 N1b'' U23 3
C7bU111 C7b U11 1
C7bU221 C7b U22 1
C7bU331 C7b U33 1
C7bU121 C7b U12 1
C7bU131 C7b U13 1
C7bU231 C7b U23 1
C7bU112 C7b U11 2
C7bU222 C7b U22 2
C7bU332 C7b U33 2
C7bU122 C7b U12 2
C7bU132 C7b U13 2
C7bU232 C7b U23 2
C7bU113 C7b U11 3
C7bU223 C7b U22 3
C7bU333 C7b U33 3
C7bU123 C7b U12 3
C7bU133 C7b U13 3
C7bU233 C7b U23 3
C7b'U111 C7b' U11 1
C7b'U221 C7b' U22 1
C7b'U331 C7b' U33 1
C7b'U121 C7b' U12 1
C7b'U131 C7b' U13 1
C7b'U231 C7b' U23 1
C7b'U112 C7b' U11 2
C7b'U222 C7b' U22 2
C7b'U332 C7b' U33 2
C7b'U122 C7b' U12 2
C7b'U132 C7b' U13 2
C7b'U232 C7b' U23 2
C7b'U113 C7b' U11 3
C7b'U223 C7b' U22 3
C7b'U333 C7b' U33 3
C7b'U123 C7b' U12 3
C7b'U133 C7b' U13 3
C7b'U233 C7b' U23 3
C7b''U111 C7b'' U11 1
C7b''U221 C7b'' U22 1
C7b''U331 C7b'' U33 1
C7b''U121 C7b'' U12 1
C7b''U131 C7b'' U13 1
C7b''U231 C7b'' U23 1
C7b''U112 C7b'' U11 2
C7b''U222 C7b'' U22 2
C7b''U332 C7b'' U33 2
C7b''U122 C7b'' U12 2
C7b''U132 C7b'' U13 2
C7b''U232 C7b'' U23 2
C7b''U113 C7b'' U11 3
C7b''U223 C7b'' U22 3
C7b''U333 C7b'' U33 3
C7b''U123 C7b'' U12 3
C7b''U133 C7b'' U13 3
C7b''U233 C7b'' U23 3
O28wU111 O28w U11 1
O28wU221 O28w U22 1
O28wU331 O28w U33 1
O28wU121 O28w U12 1
O28wU131 O28w U13 1
O28wU231 O28w U23 1
O28wU112 O28w U11 2
O28wU222 O28w U22 2
O28wU332 O28w U33 2
O28wU122 O28w U12 2
O28wU132 O28w U13 2
O28wU232 O28w U23 2
O28wU113 O28w U11 3
O28wU223 O28w U22 3
O28wU333 O28w U33 3
O28wU123 O28w U12 3
O28wU133 O28w U13 3
O28wU233 O28w U23 3
O18wU111 O18w U11 1
O18wU221 O18w U22 1
O18wU331 O18w U33 1
O18wU121 O18w U12 1
O18wU131 O18w U13 1
O18wU231 O18w U23 1
O18wU112 O18w U11 2
O18wU222 O18w U22 2
O18wU332 O18w U33 2
O18wU122 O18w U12 2
O18wU132 O18w U13 2
O18wU232 O18w U23 2
O18wU113 O18w U11 3
O18wU223 O18w U22 3
O18wU333 O18w U33 3
O18wU123 O18w U12 3
O18wU133 O18w U13 3
O18wU233 O18w U23 3
O24wU111 O24w U11 1
O24wU221 O24w U22 1
O24wU331 O24w U33 1
O24wU121 O24w U12 1
O24wU131 O24w U13 1
O24wU231 O24w U23 1
O24wU112 O24w U11 2
O24wU222 O24w U22 2
O24wU332 O24w U33 2
O24wU122 O24w U12 2
O24wU132 O24w U13 2
O24wU232 O24w U23 2
O24wU113 O24w U11 3
O24wU223 O24w U22 3
O24wU333 O24w U33 3
O24wU123 O24w U12 3
O24wU133 O24w U13 3
O24wU233 O24w U23 3
O23wU111 O23w U11 1
O23wU221 O23w U22 1
O23wU331 O23w U33 1
O23wU121 O23w U12 1
O23wU131 O23w U13 1
O23wU231 O23w U23 1
O23wU112 O23w U11 2
O23wU222 O23w U22 2
O23wU332 O23w U33 2
O23wU122 O23w U12 2
O23wU132 O23w U13 2
O23wU232 O23w U23 2
O23wU113 O23w U11 3
O23wU223 O23w U22 3
O23wU333 O23w U33 3
O23wU123 O23w U12 3
O23wU133 O23w U13 3
O23wU233 O23w U23 3
Na6U111 Na6 U11 1
Na6U221 Na6 U22 1
Na6U331 Na6 U33 1
Na6U121 Na6 U12 1
Na6U131 Na6 U13 1
Na6U231 Na6 U23 1
Na6U112 Na6 U11 2
Na6U222 Na6 U22 2
Na6U332 Na6 U33 2
Na6U122 Na6 U12 2
Na6U132 Na6 U13 2
Na6U232 Na6 U23 2
Na6U113 Na6 U11 3
Na6U223 Na6 U22 3
Na6U333 Na6 U33 3
Na6U123 Na6 U12 3
Na6U133 Na6 U13 3
Na6U233 Na6 U23 3
Na2U111 Na2 U11 1
Na2U221 Na2 U22 1
Na2U331 Na2 U33 1
Na2U121 Na2 U12 1
Na2U131 Na2 U13 1
Na2U231 Na2 U23 1
Na2U112 Na2 U11 2
Na2U222 Na2 U22 2
Na2U332 Na2 U33 2
Na2U122 Na2 U12 2
Na2U132 Na2 U13 2
Na2U232 Na2 U23 2
C1aU111 C1a U11 1
C1aU221 C1a U22 1
C1aU331 C1a U33 1
C1aU121 C1a U12 1
C1aU131 C1a U13 1
C1aU231 C1a U23 1
C1aU112 C1a U11 2
C1aU222 C1a U22 2
C1aU332 C1a U33 2
C1aU122 C1a U12 2
C1aU132 C1a U13 2
C1aU232 C1a U23 2
C1aU113 C1a U11 3
C1aU223 C1a U22 3
C1aU333 C1a U33 3
C1aU123 C1a U12 3
C1aU133 C1a U13 3
C1aU233 C1a U23 3
C2aU111 C2a U11 1
C2aU221 C2a U22 1
C2aU331 C2a U33 1
C2aU121 C2a U12 1
C2aU131 C2a U13 1
C2aU231 C2a U23 1
C2aU112 C2a U11 2
C2aU222 C2a U22 2
C2aU332 C2a U33 2
C2aU122 C2a U12 2
C2aU132 C2a U13 2
C2aU232 C2a U23 2
C2aU113 C2a U11 3
C2aU223 C2a U22 3
C2aU333 C2a U33 3
C2aU123 C2a U12 3
C2aU133 C2a U13 3
C2aU233 C2a U23 3
C3aU111 C3a U11 1
C3aU221 C3a U22 1
C3aU331 C3a U33 1
C3aU121 C3a U12 1
C3aU131 C3a U13 1
C3aU231 C3a U23 1
C3aU112 C3a U11 2
C3aU222 C3a U22 2
C3aU332 C3a U33 2
C3aU122 C3a U12 2
C3aU132 C3a U13 2
C3aU232 C3a U23 2
C3aU113 C3a U11 3
C3aU223 C3a U22 3
C3aU333 C3a U33 3
C3aU123 C3a U12 3
C3aU133 C3a U13 3
C3aU233 C3a U23 3
C4aU111 C4a U11 1
C4aU221 C4a U22 1
C4aU331 C4a U33 1
C4aU121 C4a U12 1
C4aU131 C4a U13 1
C4aU231 C4a U23 1
C4aU112 C4a U11 2
C4aU222 C4a U22 2
C4aU332 C4a U33 2
C4aU122 C4a U12 2
C4aU132 C4a U13 2
C4aU232 C4a U23 2
C4aU113 C4a U11 3
C4aU223 C4a U22 3
C4aU333 C4a U33 3
C4aU123 C4a U12 3
C4aU133 C4a U13 3
C4aU233 C4a U23 3
C5aU111 C5a U11 1
C5aU221 C5a U22 1
C5aU331 C5a U33 1
C5aU121 C5a U12 1
C5aU131 C5a U13 1
C5aU231 C5a U23 1
C5aU112 C5a U11 2
C5aU222 C5a U22 2
C5aU332 C5a U33 2
C5aU122 C5a U12 2
C5aU132 C5a U13 2
C5aU232 C5a U23 2
C5aU113 C5a U11 3
C5aU223 C5a U22 3
C5aU333 C5a U33 3
C5aU123 C5a U12 3
C5aU133 C5a U13 3
C5aU233 C5a U23 3
C6aU111 C6a U11 1
C6aU221 C6a U22 1
C6aU331 C6a U33 1
C6aU121 C6a U12 1
C6aU131 C6a U13 1
C6aU231 C6a U23 1
C6aU112 C6a U11 2
C6aU222 C6a U22 2
C6aU332 C6a U33 2
C6aU122 C6a U12 2
C6aU132 C6a U13 2
C6aU232 C6a U23 2
C6aU113 C6a U11 3
C6aU223 C6a U22 3
C6aU333 C6a U33 3
C6aU123 C6a U12 3
C6aU133 C6a U13 3
C6aU233 C6a U23 3
H1c3aU111 H1c3a U11 1
H1c3aU221 H1c3a U22 1
H1c3aU331 H1c3a U33 1
H1c3aU121 H1c3a U12 1
H1c3aU131 H1c3a U13 1
H1c3aU231 H1c3a U23 1
H1c3aU112 H1c3a U11 2
H1c3aU222 H1c3a U22 2
H1c3aU332 H1c3a U33 2
H1c3aU122 H1c3a U12 2
H1c3aU132 H1c3a U13 2
H1c3aU232 H1c3a U23 2
H1c3aU113 H1c3a U11 3
H1c3aU223 H1c3a U22 3
H1c3aU333 H1c3a U33 3
H1c3aU123 H1c3a U12 3
H1c3aU133 H1c3a U13 3
H1c3aU233 H1c3a U23 3
H1c4aU111 H1c4a U11 1
H1c4aU221 H1c4a U22 1
H1c4aU331 H1c4a U33 1
H1c4aU121 H1c4a U12 1
H1c4aU131 H1c4a U13 1
H1c4aU231 H1c4a U23 1
H1c4aU112 H1c4a U11 2
H1c4aU222 H1c4a U22 2
H1c4aU332 H1c4a U33 2
H1c4aU122 H1c4a U12 2
H1c4aU132 H1c4a U13 2
H1c4aU232 H1c4a U23 2
H1c4aU113 H1c4a U11 3
H1c4aU223 H1c4a U22 3
H1c4aU333 H1c4a U33 3
H1c4aU123 H1c4a U12 3
H1c4aU133 H1c4a U13 3
H1c4aU233 H1c4a U23 3
H1c5aU111 H1c5a U11 1
H1c5aU221 H1c5a U22 1
H1c5aU331 H1c5a U33 1
H1c5aU121 H1c5a U12 1
H1c5aU131 H1c5a U13 1
H1c5aU231 H1c5a U23 1
H1c5aU112 H1c5a U11 2
H1c5aU222 H1c5a U22 2
H1c5aU332 H1c5a U33 2
H1c5aU122 H1c5a U12 2
H1c5aU132 H1c5a U13 2
H1c5aU232 H1c5a U23 2
H1c5aU113 H1c5a U11 3
H1c5aU223 H1c5a U22 3
H1c5aU333 H1c5a U33 3
H1c5aU123 H1c5a U12 3
H1c5aU133 H1c5a U13 3
H1c5aU233 H1c5a U23 3
H1c6aU111 H1c6a U11 1
H1c6aU221 H1c6a U22 1
H1c6aU331 H1c6a U33 1
H1c6aU121 H1c6a U12 1
H1c6aU131 H1c6a U13 1
H1c6aU231 H1c6a U23 1
H1c6aU112 H1c6a U11 2
H1c6aU222 H1c6a U22 2
H1c6aU332 H1c6a U33 2
H1c6aU122 H1c6a U12 2
H1c6aU132 H1c6a U13 2
H1c6aU232 H1c6a U23 2
H1c6aU113 H1c6a U11 3
H1c6aU223 H1c6a U22 3
H1c6aU333 H1c6a U33 3
H1c6aU123 H1c6a U12