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Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4

Authors:

Li, Liang; Wolfel, Alexander; Schonleber, Andreas; Mondal, Swastik; Schreurs, Antoine M. M.; Kroon-Batenburg, Loes M. J.; van Smaalen, Sander

Journal:

Acta Crystallographica, Section B 67 205-217 (2011)

DOI:

https://doi.org/10.1107/S0108768111013814

B-IncStrDB ID: 9boQv0x6KTy Entry date: 2022-01-19 Last revision: 2022-01-19

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I

Chemical data

Structural Formula Sum: Cl4 Rb2 Zn1 [ Help ]

Formula weight: 378.1 Da [ Help ]

Crystallographic data and experimental details

Crystal system: orthorhombic [ Help ]

Superspace group name: Pmcn(00γ)ss0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

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

a: 7.241 Å [ Help ]

b: 12.648 Å [ Help ]

c: 9.216 Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 844.0397 Å3 [ Help ]

Z: 4 [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.00000 0.00000 0.31600

μ: 6.195 mm-1 [ Help ]

Absorption correction type: none [ Help ]

Minimum transmission factor: 1 [ Help ]

Maximum transmission factor: 1 [ Help ]

Refinement details

Total nb. of reflections: 19956 [ Help ]

Nb. of observed reflections: 6245 [ Help ]

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

R(all): 0.1030 [ Help ]

R(obs): 0.1030 [ Help ]

wR(obs): 0.1429 [ Help ]

wR(all): 0.1429 [ Help ]

S(all): 6.51 [ Help ]

Nb. of reflections: 6245 [ Help ]

Nb. of parameters: 140 [ Help ]

Number of restraints: 0 [ Help ]

Number of constraints: 0 [ Help ]

Weighting scheme: sigma [ Help ]

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

Δ/σ(max): 0.0006 [ Help ]

Δ/σ(mean): 0.0001 [ Help ]

Δρ(max): 4.85 e_Å-3 [ Help ]

Δρ(min): -3.74 e_Å-3 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom symbol Atom site label x y z Uiso/equiv ADP type Coords from (d)iffraction or (c)alculated Coords restraints or constraints Occupancy Symmetry multiplicity Disordered cluster Disordered group
Rb Rb1 0.25 0.40659(8) 0.62976(8) 0.0426(3) Uani d . 1 4 . .
Rb Rb2 0.25 0.81909(4) 0.48680(6) 0.02495(17) Uani d . 1 4 . .
Zn Zn 0.25 0.42189(5) 0.22339(7) 0.01771(18) Uani d . 1 4 . .
Cl Cl1 0.25 0.42044(14) -0.01861(17) 0.0395(5) Uani d . 1 4 . .
Cl Cl2 0.25 0.58417(12) 0.32210(17) 0.0364(4) Uani d . 1 4 . .
Cl Cl3 0.00210(13) 0.33922(10) 0.31206(13) 0.0405(3) Uani d . 1 8 . .

ADP components: [ Help ]

Atom site label U11 U22 U33 U12 U13 U23 Atom site symbol
Rb1 0.0442(3) 0.0650(6) 0.0188(4) 0 0 -0.0016(3) Rb
Rb2 0.0358(3) 0.0214(3) 0.0176(3) 0 0 -0.00062(14) Rb
Zn 0.0202(2) 0.0192(3) 0.0137(3) 0 0 -0.00024(17) Zn
Cl1 0.0702(10) 0.0351(9) 0.0132(7) 0 0 -0.0037(5) Cl
Cl2 0.0663(9) 0.0219(6) 0.0209(7) 0 0 -0.0068(4) Cl
Cl3 0.0278(4) 0.0605(7) 0.0331(6) -0.0184(4) -0.0024(3) 0.0146(4) Cl

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

Wave vector code q_x q_z
1 0.00000 0.31600
2 0.00000 0.63200
3 0.00000 0.94800
4 0.00000 1.26400
5 0.00000 1.58000

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

Modulation code Atom site label Displacement axis Wave vector code
Rb1x1 Rb1 x 1
Rb1y1 Rb1 y 1
Rb1z1 Rb1 z 1
Rb1x2 Rb1 x 2
Rb1y2 Rb1 y 2
Rb1z2 Rb1 z 2
Rb1x3 Rb1 x 3
Rb1y3 Rb1 y 3
Rb1z3 Rb1 z 3
Rb1x4 Rb1 x 4
Rb1y4 Rb1 y 4
Rb1z4 Rb1 z 4
Rb1x5 Rb1 x 5
Rb1y5 Rb1 y 5
Rb1z5 Rb1 z 5
Rb2x1 Rb2 x 1
Rb2y1 Rb2 y 1
Rb2z1 Rb2 z 1
Rb2x2 Rb2 x 2
Rb2y2 Rb2 y 2
Rb2z2 Rb2 z 2
Rb2x3 Rb2 x 3
Rb2y3 Rb2 y 3
Rb2z3 Rb2 z 3
Rb2x4 Rb2 x 4
Rb2y4 Rb2 y 4
Rb2z4 Rb2 z 4
Rb2x5 Rb2 x 5
Rb2y5 Rb2 y 5
Rb2z5 Rb2 z 5
Znx1 Zn x 1
Zny1 Zn y 1
Znz1 Zn z 1
Znx2 Zn x 2
Zny2 Zn y 2
Znz2 Zn z 2
Znx3 Zn x 3
Zny3 Zn y 3
Znz3 Zn z 3
Znx4 Zn x 4
Zny4 Zn y 4
Znz4 Zn z 4
Znx5 Zn x 5
Zny5 Zn y 5
Znz5 Zn z 5
Cl1x1 Cl1 x 1
Cl1y1 Cl1 y 1
Cl1z1 Cl1 z 1
Cl1x2 Cl1 x 2
Cl1y2 Cl1 y 2
Cl1z2 Cl1 z 2
Cl1x3 Cl1 x 3
Cl1y3 Cl1 y 3
Cl1z3 Cl1 z 3
Cl1x4 Cl1 x 4
Cl1y4 Cl1 y 4
Cl1z4 Cl1 z 4
Cl1x5 Cl1 x 5
Cl1y5 Cl1 y 5
Cl1z5 Cl1 z 5
Cl2x1 Cl2 x 1
Cl2y1 Cl2 y 1
Cl2z1 Cl2 z 1
Cl2x2 Cl2 x 2
Cl2y2 Cl2 y 2
Cl2z2 Cl2 z 2
Cl2x3 Cl2 x 3
Cl2y3 Cl2 y 3
Cl2z3 Cl2 z 3
Cl2x4 Cl2 x 4
Cl2y4 Cl2 y 4
Cl2z4 Cl2 z 4
Cl2x5 Cl2 x 5
Cl2y5 Cl2 y 5
Cl2z5 Cl2 z 5
Cl3x1 Cl3 x 1
Cl3y1 Cl3 y 1
Cl3z1 Cl3 z 1
Cl3x2 Cl3 x 2
Cl3y2 Cl3 y 2
Cl3z2 Cl3 z 2
Cl3x3 Cl3 x 3
Cl3y3 Cl3 y 3
Cl3z3 Cl3 z 3
Cl3x4 Cl3 x 4
Cl3y4 Cl3 y 4
Cl3z4 Cl3 z 4
Cl3x5 Cl3 x 5
Cl3y5 Cl3 y 5
Cl3z5 Cl3 z 5

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Rb1x1 -0.01215(10) 0.01224(10)
Rb1y1 0 0
Rb1z1 0 0
Rb1x2 0 0
Rb1y2 -0.00242(8) -0.00043(9)
Rb1z2 0.00039(10) 0.00082(10)
Rb1x3 0.00035(15) -0.00291(14)
Rb1y3 0 0
Rb1z3 0 0
Rb1x4 0 0
Rb1y4 0.0020(3) -0.0038(3)
Rb1z4 -0.0009(4) 0.0014(4)
Rb1x5 -0.00038(18) 0.00068(18)
Rb1y5 0 0
Rb1z5 0 0
Rb2x1 -0.00140(7) 0.01713(9)
Rb2y1 0 0
Rb2z1 0 0
Rb2x2 0 0
Rb2y2 0.00033(6) 0.00027(6)
Rb2z2 -0.00015(8) -0.00055(8)
Rb2x3 -0.00097(13) -0.00103(13)
Rb2y3 0 0
Rb2z3 0 0
Rb2x4 0 0
Rb2y4 -0.0004(2) 0.0007(2)
Rb2z4 0.0023(4) -0.0016(4)
Rb2x5 0.00070(19) 0.00161(14)
Rb2y5 0 0
Rb2z5 0 0
Znx1 0.00329(7) 0.00998(8)
Zny1 0 0
Znz1 0 0
Znx2 0 0
Zny2 -0.00022(7) -0.00030(7)
Znz2 0.00085(9) -0.00009(9)
Znx3 -0.00099(13) -0.00025(13)
Zny3 0 0
Znz3 0 0
Znx4 0 0
Zny4 -0.0002(3) -0.0005(3)
Znz4 0.0011(5) -0.0002(4)
Znx5 0.00011(17) -0.00108(16)
Zny5 0 0
Znz5 0 0
Cl1x1 0.0066(3) 0.0425(4)
Cl1y1 0 0
Cl1z1 0 0
Cl1x2 0 0
Cl1y2 -0.00209(19) -0.00043(18)
Cl1z2 -0.0001(2) -0.0008(2)
Cl1x3 0.0024(5) 0.0040(5)
Cl1y3 0 0
Cl1z3 0 0
Cl1x4 0 0
Cl1y4 -0.0021(6) 0.0030(6)
Cl1z4 -0.0011(7) -0.0026(8)
Cl1x5 -0.0014(7) 0.0011(7)
Cl1y5 0 0
Cl1z5 0 0
Cl2x1 0.0548(4) 0.0076(3)
Cl2y1 0 0
Cl2z1 0 0
Cl2x2 0 0
Cl2y2 -0.00098(16) 0.00027(17)
Cl2z2 0.0006(3) -0.0009(2)
Cl2x3 -0.0124(5) -0.0038(5)
Cl2y3 0 0
Cl2z3 0 0
Cl2x4 0 0
Cl2y4 0.0011(5) -0.0001(5)
Cl2z4 -0.0015(7) 0.0015(6)
Cl2x5 0.0033(8) 0.0010(7)
Cl2y5 0 0
Cl2z5 0 0
Cl3x1 -0.01939(17) 0.00554(16)
Cl3y1 0.02635(15) 0.00002(13)
Cl3z1 0.01334(15) -0.01094(15)
Cl3x2 0.00126(18) 0.00065(18)
Cl3y2 -0.00057(16) -0.00026(15)
Cl3z2 0.00035(17) 0.00125(17)
Cl3x3 0.0033(2) -0.0023(2)
Cl3y3 -0.00535(19) 0.0008(2)
Cl3z3 -0.0032(3) 0.0003(3)
Cl3x4 -0.0030(4) 0.0001(4)
Cl3y4 0.0006(3) 0.0002(4)
Cl3z4 0.0025(5) -0.0014(5)
Cl3x5 -0.0010(3) -0.0014(3)
Cl3y5 0.0025(3) 0.0000(3)
Cl3z5 0.0001(4) 0.0009(4)

II

Chemical data

Structural Formula Sum: Cl4 Rb2 Zn1 [ Help ]

Formula weight: 378.1 Da [ Help ]

Crystallographic data and experimental details

Crystal system: orthorhombic [ Help ]

Superspace group name: Pmcn(00γ)ss0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

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

a: 7.241 Å [ Help ]

b: 12.648 Å [ Help ]

c: 9.216 Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 844.0397 Å3 [ Help ]

Z: 4 [ Help ]

Modulation dimension: 1 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.00000 0.00000 0.31600

μ: 6.195 mm-1 [ Help ]

Absorption correction type: none [ Help ]

Minimum transmission factor: 1 [ Help ]

Maximum transmission factor: 1 [ Help ]

Refinement details

Total nb. of reflections: 19956 [ Help ]

Nb. of observed reflections: 6245 [ Help ]

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

R(all): 0.0563 [ Help ]

R(obs): 0.0563 [ Help ]

wR(obs): 0.0705 [ Help ]

wR(all): 0.0705 [ Help ]

S(all): 3.28 [ Help ]

Nb. of reflections: 6245 [ Help ]

Nb. of parameters: 389 [ Help ]

Number of restraints: 0 [ Help ]

Number of constraints: 140 [ Help ]

Weighting scheme: sigma [ Help ]

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

Δ/σ(max): 0.0010 [ Help ]

Δ/σ(mean): 0.0001 [ Help ]

Δρ(max): 1.71 e_Å-3 [ Help ]

Δρ(min): -1.78 e_Å-3 [ Help ]

Extinction method: none [ Help ]

Structural Information

Average Structure: [ Help ]

Atom symbol Atom site label x y z Uiso/equiv ADP type Coords from (d)iffraction or (c)alculated Coords restraints or constraints Occupancy Symmetry multiplicity Disordered cluster Disordered group
Rb Rb1 0.25 0.40659(4) 0.62969(4) 0.0408(3) Uani d . 1 4 . .
Rb Rb2 0.25 0.81921(2) 0.48673(3) 0.0232(2) Uani d . 1 4 . .
Zn Zn 0.25 0.42179(3) 0.22344(3) 0.01827(10) Uani d . 1 4 . .
Cl Cl1 0.25 0.41962(8) -0.01837(9) 0.0426(3) Uani d . 1 4 . .
Cl Cl2 0.25 0.58430(6) 0.32169(9) 0.0400(3) Uani d . 1 4 . .
Cl Cl3 0.00171(7) 0.33945(6) 0.31245(8) 0.0426(4) Uani d . 1 8 . .

ADP components: [ Help ]

Atom site label U11 U22 U33 U12 U13 U23 Atom site symbol
Rb1 0.0416(4) 0.0634(7) 0.0175(5) 0 0 -0.0017(3) Rb
Rb2 0.0341(4) 0.0202(4) 0.0154(4) 0 0 -0.00080(19) Rb
Zn 0.02085(15) 0.01969(19) 0.01426(18) 0 0 -0.00021(8) Zn
Cl1 0.0766(6) 0.0373(5) 0.0139(4) 0 0 -0.0043(2) Cl
Cl2 0.0750(7) 0.0232(4) 0.0217(4) 0 0 -0.0068(2) Cl
Cl3 0.0273(5) 0.0680(10) 0.0325(8) -0.0224(5) -0.0053(5) 0.0181(6) Cl

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

Wave vector code q_x q_z
1 0.00000 0.31600
2 0.00000 0.63200
3 0.00000 0.94800
4 0.00000 1.26400
5 0.00000 1.58000

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

Modulation code Atom site label Displacement axis Wave vector code
Rb1x1 Rb1 x 1
Rb1y1 Rb1 y 1
Rb1z1 Rb1 z 1
Rb1x2 Rb1 x 2
Rb1y2 Rb1 y 2
Rb1z2 Rb1 z 2
Rb1x3 Rb1 x 3
Rb1y3 Rb1 y 3
Rb1z3 Rb1 z 3
Rb1x4 Rb1 x 4
Rb1y4 Rb1 y 4
Rb1z4 Rb1 z 4
Rb1x5 Rb1 x 5
Rb1y5 Rb1 y 5
Rb1z5 Rb1 z 5
Rb2x1 Rb2 x 1
Rb2y1 Rb2 y 1
Rb2z1 Rb2 z 1
Rb2x2 Rb2 x 2
Rb2y2 Rb2 y 2
Rb2z2 Rb2 z 2
Rb2x3 Rb2 x 3
Rb2y3 Rb2 y 3
Rb2z3 Rb2 z 3
Rb2x4 Rb2 x 4
Rb2y4 Rb2 y 4
Rb2z4 Rb2 z 4
Rb2x5 Rb2 x 5
Rb2y5 Rb2 y 5
Rb2z5 Rb2 z 5
Znx1 Zn x 1
Zny1 Zn y 1
Znz1 Zn z 1
Znx2 Zn x 2
Zny2 Zn y 2
Znz2 Zn z 2
Znx3 Zn x 3
Zny3 Zn y 3
Znz3 Zn z 3
Znx4 Zn x 4
Zny4 Zn y 4
Znz4 Zn z 4
Znx5 Zn x 5
Zny5 Zn y 5
Znz5 Zn z 5
Cl1x1 Cl1 x 1
Cl1y1 Cl1 y 1
Cl1z1 Cl1 z 1
Cl1x2 Cl1 x 2
Cl1y2 Cl1 y 2
Cl1z2 Cl1 z 2
Cl1x3 Cl1 x 3
Cl1y3 Cl1 y 3
Cl1z3 Cl1 z 3
Cl1x4 Cl1 x 4
Cl1y4 Cl1 y 4
Cl1z4 Cl1 z 4
Cl1x5 Cl1 x 5
Cl1y5 Cl1 y 5
Cl1z5 Cl1 z 5
Cl2x1 Cl2 x 1
Cl2y1 Cl2 y 1
Cl2z1 Cl2 z 1
Cl2x2 Cl2 x 2
Cl2y2 Cl2 y 2
Cl2z2 Cl2 z 2
Cl2x3 Cl2 x 3
Cl2y3 Cl2 y 3
Cl2z3 Cl2 z 3
Cl2x4 Cl2 x 4
Cl2y4 Cl2 y 4
Cl2z4 Cl2 z 4
Cl2x5 Cl2 x 5
Cl2y5 Cl2 y 5
Cl2z5 Cl2 z 5
Cl3x1 Cl3 x 1
Cl3y1 Cl3 y 1
Cl3z1 Cl3 z 1
Cl3x2 Cl3 x 2
Cl3y2 Cl3 y 2
Cl3z2 Cl3 z 2
Cl3x3 Cl3 x 3
Cl3y3 Cl3 y 3
Cl3z3 Cl3 z 3
Cl3x4 Cl3 x 4
Cl3y4 Cl3 y 4
Cl3z4 Cl3 z 4
Cl3x5 Cl3 x 5
Cl3y5 Cl3 y 5
Cl3z5 Cl3 z 5

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Rb1x1 -0.01100(9) 0.01111(8)
Rb1y1 0 0
Rb1z1 0 0
Rb1x2 0 0
Rb1y2 -0.00171(8) -0.00021(9)
Rb1z2 -0.00010(10) 0.00094(6)
Rb1x3 0.00191(16) -0.00175(16)
Rb1y3 0 0
Rb1z3 0 0
Rb1x4 0 0
Rb1y4 0.00103(15) -0.00081(16)
Rb1z4 -0.0012(2) 0.0000(2)
Rb1x5 -0.00094(9) 0.00101(9)
Rb1y5 0 0
Rb1z5 0 0
Rb2x1 -0.00149(6) 0.01574(8)
Rb2y1 0 0
Rb2z1 0 0
Rb2x2 0 0
Rb2y2 0.00010(3) 0.00023(3)
Rb2z2 0.00016(5) -0.00058(4)
Rb2x3 -0.00049(8) -0.00148(15)
Rb2y3 0 0
Rb2z3 0 0
Rb2x4 0 0
Rb2y4 0.00027(11) -0.00008(12)
Rb2z4 -0.00059(18) 0.00040(18)
Rb2x5 0.00029(10) 0.00085(15)
Rb2y5 0 0
Rb2z5 0 0
Znx1 0.00308(6) 0.00958(7)
Zny1 0 0
Znz1 0 0
Znx2 0 0
Zny2 -0.00026(6) -0.00029(3)
Znz2 0.00082(5) -0.00011(5)
Znx3 -0.00130(8) -0.00021(16)
Zny3 0 0
Znz3 0 0
Znx4 0 0
Zny4 0.00021(16) -0.00042(13)
Znz4 -0.0004(2) 0.0003(2)
Znx5 0.00012(8) -0.00089(8)
Zny5 0 0
Znz5 0 0
Cl1x1 0.0058(3) 0.0377(3)
Cl1y1 0 0
Cl1z1 0 0
Cl1x2 0 0
Cl1y2 -0.00143(19) -0.00015(10)
Cl1z2 0.0001(2) -0.00060(15)
Cl1x3 -0.0016(5) -0.0008(5)
Cl1y3 0 0
Cl1z3 0 0
Cl1x4 0 0
Cl1y4 -0.0002(3) 0.0008(4)
Cl1z4 0.0002(4) -0.0007(4)
Cl1x5 -0.0006(7) 0.0017(7)
Cl1y5 0 0
Cl1z5 0 0
Cl2x1 0.0510(4) 0.0077(3)
Cl2y1 0 0
Cl2z1 0 0
Cl2x2 0 0
Cl2y2 -0.00068(9) -0.00004(11)
Cl2z2 0.00040(19) -0.00077(12)
Cl2x3 -0.0056(5) -0.0011(4)
Cl2y3 0 0
Cl2z3 0 0
Cl2x4 0 0
Cl2y4 0.0007(3) 0.0000(3)
Cl2z4 0.0001(4) 0.0002(3)
Cl2x5 -0.0007(8) 0.0009(8)
Cl2y5 0 0
Cl2z5 0 0
Cl3x1 -0.01811(15) 0.00501(15)
Cl3y1 0.02427(14) 0.00067(12)
Cl3z1 0.01227(12) -0.01022(10)
Cl3x2 0.00081(17) 0.00005(18)
Cl3y2 -0.00028(13) -0.00031(14)
Cl3z2 0.00012(17) 0.00100(15)
Cl3x3 0.00184(14) -0.0004(3)
Cl3y3 -0.00335(18) -0.0004(3)
Cl3z3 -0.0001(3) -0.0018(3)
Cl3x4 -0.0012(2) 0.0002(2)
Cl3y4 0.00079(19) -0.0006(2)
Cl3z4 0.0010(3) -0.0005(3)
Cl3x5 -0.0008(3) -0.0010(3)
Cl3y5 0.0019(3) 0.0004(4)
Cl3z5 0.0001(3) 0.0010(4)

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
Rb1U111 Rb1 U11 1
Rb1U221 Rb1 U22 1
Rb1U331 Rb1 U33 1
Rb1U121 Rb1 U12 1
Rb1U131 Rb1 U13 1
Rb1U231 Rb1 U23 1
Rb1U112 Rb1 U11 2
Rb1U222 Rb1 U22 2
Rb1U332 Rb1 U33 2
Rb1U122 Rb1 U12 2
Rb1U132 Rb1 U13 2
Rb1U232 Rb1 U23 2
Rb2U111 Rb2 U11 1
Rb2U221 Rb2 U22 1
Rb2U331 Rb2 U33 1
Rb2U121 Rb2 U12 1
Rb2U131 Rb2 U13 1
Rb2U231 Rb2 U23 1
Rb2U112 Rb2 U11 2
Rb2U222 Rb2 U22 2
Rb2U332 Rb2 U33 2
Rb2U122 Rb2 U12 2
Rb2U132 Rb2 U13 2
Rb2U232 Rb2 U23 2
ZnU111 Zn U11 1
ZnU221 Zn U22 1
ZnU331 Zn U33 1
ZnU121 Zn U12 1
ZnU131 Zn U13 1
ZnU231 Zn U23 1
ZnU112 Zn U11 2
ZnU222 Zn U22 2
ZnU332 Zn U33 2
ZnU122 Zn U12 2
ZnU132 Zn U13 2
ZnU232 Zn U23 2
Cl1U111 Cl1 U11 1
Cl1U221 Cl1 U22 1
Cl1U331 Cl1 U33 1
Cl1U121 Cl1 U12 1
Cl1U131 Cl1 U13 1
Cl1U231 Cl1 U23 1
Cl1U112 Cl1 U11 2
Cl1U222 Cl1 U22 2
Cl1U332 Cl1 U33 2
Cl1U122 Cl1 U12 2
Cl1U132 Cl1 U13 2
Cl1U232 Cl1 U23 2
Cl2U111 Cl2 U11 1
Cl2U221 Cl2 U22 1
Cl2U331 Cl2 U33 1
Cl2U121 Cl2 U12 1
Cl2U131 Cl2 U13 1
Cl2U231 Cl2 U23 1
Cl2U112 Cl2 U11 2
Cl2U222 Cl2 U22 2
Cl2U332 Cl2 U33 2
Cl2U122 Cl2 U12 2
Cl2U132 Cl2 U13 2
Cl2U232 Cl2 U23 2
Cl3U111 Cl3 U11 1
Cl3U221 Cl3 U22 1
Cl3U331 Cl3 U33 1
Cl3U121 Cl3 U12 1
Cl3U131 Cl3 U13 1
Cl3U231 Cl3 U23 1
Cl3U112 Cl3 U11 2
Cl3U222 Cl3 U22 2
Cl3U332 Cl3 U33 2
Cl3U122 Cl3 U12 2
Cl3U132 Cl3 U13 2
Cl3U232 Cl3 U23 2

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Rb1U111 0 0
Rb1U221 0 0
Rb1U331 0 0
Rb1U121 0.00648(15) 0.00444(16)
Rb1U131 -0.00389(12) -0.00101(12)
Rb1U231 0 0
Rb1U112 -0.0011(2) 0.0012(2)
Rb1U222 0.0002(3) 0.0047(4)
Rb1U332 0.0001(2) 0.0005(3)
Rb1U122 0 0
Rb1U132 0 0
Rb1U232 0.0003(2) -0.00112(18)
Rb2U111 0 0
Rb2U221 0 0
Rb2U331 0 0
Rb2U121 0.00113(9) -0.00382(10)
Rb2U131 -0.00045(9) 0.00294(10)
Rb2U231 0 0
Rb2U112 0.00312(16) 0.00003(17)
Rb2U222 0.0005(2) 0.0000(2)
Rb2U332 0.00050(19) -0.00016(19)
Rb2U122 0 0
Rb2U132 0 0
Rb2U232 -0.00009(13) -0.00020(13)
ZnU111 0 0
ZnU221 0 0
ZnU331 0 0
ZnU121 -0.00016(10) 0.00076(10)
ZnU131 -0.00015(9) -0.00079(9)
ZnU231 0 0
ZnU112 0.00048(16) -0.00001(16)
ZnU222 0.0004(2) -0.0002(2)
ZnU332 -0.0001(2) -0.0001(2)
ZnU122 0 0
ZnU132 0 0
ZnU232 -0.00031(15) 0.00005(17)
Cl1U111 0 0
Cl1U221 0 0
Cl1U331 0 0
Cl1U121 -0.0018(5) 0.0175(5)
Cl1U131 -0.0028(4) -0.0016(4)
Cl1U231 0 0
Cl1U112 0.0152(9) -0.0047(8)
Cl1U222 -0.0007(7) -0.0007(7)
Cl1U332 0.0002(6) 0.0000(6)
Cl1U122 0 0
Cl1U132 0 0
Cl1U232 -0.0008(4) -0.0005(4)
Cl2U111 0 0
Cl2U221 0 0
Cl2U331 0 0
Cl2U121 -0.0076(4) 0.0010(5)
Cl2U131 0.0019(4) -0.0026(5)
Cl2U231 0 0
Cl2U112 -0.0218(10) -0.0005(8)
Cl2U222 0.0006(6) 0.0000(6)
Cl2U332 0.0005(7) 0.0002(6)
Cl2U122 0 0
Cl2U132 0 0
Cl2U232 -0.0008(4) 0.0001(4)
Cl3U111 -0.0049(2) -0.0008(3)
Cl3U221 -0.0045(5) -0.0049(6)
Cl3U331 -0.0072(4) 0.0085(4)
Cl3U121 0.0058(3) 0.0031(3)
Cl3U131 0.0024(2) -0.0006(2)
Cl3U231 -0.0048(3) 0.0027(4)
Cl3U112 -0.0033(3) 0.0013(3)
Cl3U222 -0.0162(7) 0.0035(8)
Cl3U332 -0.0012(5) 0.0029(6)
Cl3U122 0.0077(4) -0.0031(4)
Cl3U132 0.0023(3) -0.0019(3)
Cl3U232 -0.0069(6) 0.0033(5)