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Na2/7Gd4/7MoO4: a Modulated Scheelite-Type Structure and Conductivity Properties

Authors:

Morozov, Vladimir A.; Arakcheeva, Alla; Redkin, Boris S.; Sinitsyn, Vitaliy V.; Khasanov, Salavat S.; Kudrenko, Elena V.; Raskina, Maria V.; Lebedev, Oleg I.; Van Tendeloo, Gustaaf

Journal:

Inorganic Chemistry 51 5313-5324 (2012)

DOI:

https://doi.org/10.1021/ic300221m

B-IncStrDB ID: 10342E5ajn3 Entry date: 2015-02-19 Last revision: 2022-01-02

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Chemical data

Full Name: sodium gadolinium molybdenum oxide [ Help ]

Common Name: Na0.286Gd0.571MoO4 [ Help ]

Formula moiety: (Na1+)0.286,(Gd3+)0.571,(MoO4 2-)1 [ Help ]

Structural Formula: Na0.286Gd0.571MoO4 [ Help ]

Formula analytical: Na0.286Gd0.571MoO4 [ Help ]

Formula (IUPAC): Na0.286Gd0.571MoO4 [ Help ]

Structural Formula Sum: Gd0.571 Mo1 Na0.286 O4 [ Help ]

Formula weight: 256.4 Da [ Help ]

Crystallographic data and experimental details

Crystal system: tetragonal [ Help ]

Superspace group name: I -4(α\-b0,βα0)00 [ Help ]

Symmetry operations of the superspace group: [ Help ]

Operation code Operation in algebraic form
1 x1,x2,x3,x4,x5
2 -x1+1/2,-x2+1/2,x3+1/2,-x4,-x5
3 x2,-x1,-x3,x5,-x4
4 -x2+1/2,x1+1/2,-x3+1/2,-x5,x4
5 x1+1/2,x2+1/2,x3+1/2,x4,x5
6 -x1,-x2,x3,-x4,-x5
7 x2+1/2,-x1+1/2,-x3+1/2,x5,-x4
8 -x2,x1,-x3,-x5,x4

a: 5.2127(2) Å [ Help ]

b: 5.2127(2) Å [ Help ]

c: 11.4523(11) Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 311.18(3) Å3 [ Help ]

Modulation dimension: 2 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.5644 0.7976 0
2 -0.7976 0.5644 0

Z: 4 [ Help ]

Cell determination reflection Nb.: 19203 [ Help ]

θ(min) for cell determination: 2.44 ° [ Help ]

θ(max) for cell determination: 40.19 ° [ Help ]

Cell measurement temperature: 293(2) K [ Help ]

μ: 15.986 mm-1 [ Help ]

Absorption correction type: sphere [ Help ]

Absorption correction remarks: Jana2006 (Petricek, Dusek & Palatinus, 2000) [ Help ]

Minimum transmission factor: 0.0401 [ Help ]

Maximum transmission factor: 0.0859 [ Help ]

Refinement details

Total nb. of reflections: 8829 [ Help ]

Nb. of observed reflections: 5643 [ Help ]

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

Refinement based on: F [ Help ]

R(obs): 0.0349 [ Help ]

wR(obs): 0.0473 [ Help ]

R(all): 0.0538 [ Help ]

wR(all): 0.0489 [ Help ]

S(all): 2.02 [ Help ]

S(obs): 2.46 [ Help ]

Nb. of reflections: 8829 [ Help ]

Nb. of parameters: 250 [ Help ]

Number of constraints: 43 [ Help ]

Weighting scheme: sigma [ Help ]

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

Δ/σ(max): 0.0284 [ Help ]

Δ/σ(mean): 0.0029 [ Help ]

Δρ(max): 3.61 e_Å-3 [ Help ]

Δρ(min): -1.4 e_Å-3 [ Help ]

Extinction method: B-C type 1 gaussian isotropic (Becker & Coppens, 1974) [ Help ]

Extinction coefficient: 940(20) [ Help ]

Absolute structure remarks: 4252 of Friedel pairs used in the refinement [ Help ]

Flack parameter: 0.505(7) [ 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
Mo1 Mo 0 0 0 Uani 0.01201(6) 2 1 d ? ? ?
Mo2 Mo 0.5 0 0.25 Uani 0.01214(6) 2 1 d ? ? ?
Na1 Na 0 0.5 0.25 Uani 0.01127(7) 2 0.1085(13) d ? ? ?
Na2 Na 1 0 0.5 Uani 0.00695(6) 2 0.4629 d ? ? ?
Gd1 Gd 0 0.5 0.25 Uani 0.01127(7) 2 0.6305(4) d ? ? ?
Gd2 Gd 1 0 0.5 Uani 0.00695(6) 2 0.5124(4) d ? ? ?
O1 O 0.24264(15) 0.1497(15) 0.91602(9) Uani 0.0217(2) 8 1 d ? ? ?
O2 O 0.65083(14) -0.24337(15) 1.16655(8) Uani 0.0209(2) 8 1 d ? ? ?

ADP components: [ Help ]

Atom site label Atom site symbol U11 U22 U33 U12 U13 U23
Mo1 Mo 0.0105(8) 0.0105(8) 0.01503(14) 0 0 0
Mo2 Mo 0.01081(7) 0.01081(7) 0.01478(13) 0 0 0
Na1 Na 0.01149(10) 0.01149(10) 0.01084(16) 0 0 0
Na2 Na 0.0072(10) 0.0072(10) 0.00646(13) 0 0 0
Gd1 Gd 0.01149(10) 0.01149(10) 0.01084(16) 0 0 0
Gd2 Gd 0.0072(10) 0.0072(10) 0.00646(13) 0 0 0
O1 O 0.0247(4) 0.0179(3) 0.0227(4) -0.0038(3) 0.0066(5) 0.0002(4)
O2 O 0.0162(3) 0.0209(3) 0.0256(4) 0.0017(3) 0.0012(4) -0.0036(5)

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

Wave vector code q_x q_y q_z
1 0.5644 0.7976 0
2 -0.7976 0.5644 0
3 -1.362 -0.2332 0
4 -0.2332 1.362 0

Definition of the occupation Fourier series: [ Help ]

Modulation code Atom site label Wave vector code
Na1o1 Na1 1
Na1o2 Na1 2
Na1o3 Na1 3
Na1o4 Na1 4
Na2o1 Na2 1
Na2o2 Na2 2
Na2o3 Na2 3
Na2o4 Na2 4
Gd1o1 Gd1 1
Gd1o2 Gd1 2
Gd1o3 Gd1 3
Gd1o4 Gd1 4
Gd2o1 Gd2 1
Gd2o2 Gd2 2
Gd2o3 Gd2 3
Gd2o4 Gd2 4

Occupation Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Na1o1 0.0772 0
Na1o2 0.0772 0
Na1o3 0.0072 0
Na1o4 0.0072 0
Na2o1 0.2458 0
Na2o2 0.2458 0
Na2o3 0.0125 0
Na2o4 0.0125 0
Gd1o1 -0.2228(9) 0
Gd1o2 -0.2228(9) 0
Gd1o3 -0.0075(7) 0
Gd1o4 -0.0075(7) 0
Gd2o1 -0.2477(8) 0
Gd2o2 -0.2477(8) 0
Gd2o3 -0.0121(6) 0
Gd2o4 -0.0121(6) 0

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

Modulation code Atom site label Displacement axis Wave vector code
Mo1x1 Mo1 x 1
Mo1y1 Mo1 y 1
Mo1z1 Mo1 z 1
Mo1x2 Mo1 x 2
Mo1y2 Mo1 y 2
Mo1z2 Mo1 z 2
Mo1x3 Mo1 x 3
Mo1y3 Mo1 y 3
Mo1z3 Mo1 z 3
Mo1x4 Mo1 x 4
Mo1y4 Mo1 y 4
Mo1z4 Mo1 z 4
Mo2x1 Mo2 x 1
Mo2y1 Mo2 y 1
Mo2z1 Mo2 z 1
Mo2x2 Mo2 x 2
Mo2y2 Mo2 y 2
Mo2z2 Mo2 z 2
Mo2x3 Mo2 x 3
Mo2y3 Mo2 y 3
Mo2z3 Mo2 z 3
Mo2x4 Mo2 x 4
Mo2y4 Mo2 y 4
Mo2z4 Mo2 z 4
Na1x1 Na1 x 1
Na1y1 Na1 y 1
Na1z1 Na1 z 1
Na1x2 Na1 x 2
Na1y2 Na1 y 2
Na1z2 Na1 z 2
Na1x3 Na1 x 3
Na1y3 Na1 y 3
Na1z3 Na1 z 3
Na1x4 Na1 x 4
Na1y4 Na1 y 4
Na1z4 Na1 z 4
Na2x1 Na2 x 1
Na2y1 Na2 y 1
Na2z1 Na2 z 1
Na2x2 Na2 x 2
Na2y2 Na2 y 2
Na2z2 Na2 z 2
Na2x3 Na2 x 3
Na2y3 Na2 y 3
Na2z3 Na2 z 3
Na2x4 Na2 x 4
Na2y4 Na2 y 4
Na2z4 Na2 z 4
Gd1x1 Gd1 x 1
Gd1y1 Gd1 y 1
Gd1z1 Gd1 z 1
Gd1x2 Gd1 x 2
Gd1y2 Gd1 y 2
Gd1z2 Gd1 z 2
Gd1x3 Gd1 x 3
Gd1y3 Gd1 y 3
Gd1z3 Gd1 z 3
Gd1x4 Gd1 x 4
Gd1y4 Gd1 y 4
Gd1z4 Gd1 z 4
Gd2x1 Gd2 x 1
Gd2y1 Gd2 y 1
Gd2z1 Gd2 z 1
Gd2x2 Gd2 x 2
Gd2y2 Gd2 y 2
Gd2z2 Gd2 z 2
Gd2x3 Gd2 x 3
Gd2y3 Gd2 y 3
Gd2z3 Gd2 z 3
Gd2x4 Gd2 x 4
Gd2y4 Gd2 y 4
Gd2z4 Gd2 z 4
O1x1 O1 x 1
O1y1 O1 y 1
O1z1 O1 z 1
O1x2 O1 x 2
O1y2 O1 y 2
O1z2 O1 z 2
O1x3 O1 x 3
O1y3 O1 y 3
O1z3 O1 z 3
O1x4 O1 x 4
O1y4 O1 y 4
O1z4 O1 z 4
O2x1 O2 x 1
O2y1 O2 y 1
O2z1 O2 z 1
O2x2 O2 x 2
O2y2 O2 y 2
O2z2 O2 z 2
O2x3 O2 x 3
O2y3 O2 y 3
O2z3 O2 z 3
O2x4 O2 x 4
O2y4 O2 y 4
O2z4 O2 z 4

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Mo1x1 0 0.00392(13)
Mo1y1 0 0.00549(13)
Mo1z1 0.0004(11) 0
Mo1x2 0 -0.00549(13)
Mo1y2 0 0.00392(13)
Mo1z2 -0.0004(11) 0
Mo1x3 0 0.00003(5)
Mo1y3 0 -0.00023(5)
Mo1z3 -0.00059(3) 0
Mo1x4 0 -0.00023(5)
Mo1y4 0 -0.00003(5)
Mo1z4 0.00059(3) 0
Mo2x1 0 0.00563(12)
Mo2y1 0 0.00639(13)
Mo2z1 -0.00143(10) 0
Mo2x2 0 -0.00639(13)
Mo2y2 0 0.00563(12)
Mo2z2 0.00143(10) 0
Mo2x3 0 0.00063(7)
Mo2y3 0 -0.00042(7)
Mo2z3 0.00009(2) 0
Mo2x4 0 -0.00042(7)
Mo2y4 0 -0.00063(7)
Mo2z4 -0.00009(2) 0
Na1x1 0 -0.00552(12)
Na1y1 0 -0.00404(12)
Na1z1 -0.00054(10) 0
Na1x2 0 0.00404(12)
Na1y2 0 -0.00552(12)
Na1z2 0.00054(10) 0
Na1x3 0 0.0015(8)
Na1y3 0 0.0003(7)
Na1z3 -0.000162(19) 0
Na1x4 0 0.0003(7)
Na1y4 0 -0.0015(8)
Na1z4 0.000162(19) 0
Na2x1 0 -0.00411(13)
Na2y1 0 -0.00309(13)
Na2z1 0.00013(10) 0
Na2x2 0 0.00309(13)
Na2y2 0 -0.00411(13)
Na2z2 -0.00013(10) 0
Na2x3 0 0.00093(6)
Na2y3 0 -0.00001(6)
Na2z3 -0.00032(3) 0
Na2x4 0 -0.00001(6)
Na2y4 0 -0.00093(6)
Na2z4 0.00032(3) 0
Gd1x1 0 -0.00552(12)
Gd1y1 0 -0.00404(12)
Gd1z1 -0.00054(10) 0
Gd1x2 0 0.00404(12)
Gd1y2 0 -0.00552(12)
Gd1z2 0.00054(10) 0
Gd1x3 0 0.0015(8)
Gd1y3 0 0.0003(7)
Gd1z3 -0.000162(19) 0
Gd1x4 0 0.0003(7)
Gd1y4 0 -0.0015(8)
Gd1z4 0.000162(19) 0
Gd2x1 0 -0.00411(13)
Gd2y1 0 -0.00309(13)
Gd2z1 0.00013(10) 0
Gd2x2 0 0.00309(13)
Gd2y2 0 -0.00411(13)
Gd2z2 -0.00013(10) 0
Gd2x3 0 0.00093(6)
Gd2y3 0 -0.00001(6)
Gd2z3 -0.00032(3) 0
Gd2x4 0 -0.00001(6)
Gd2y4 0 -0.00093(6)
Gd2z4 0.00032(3) 0
O1x1 -0.0024(3) 0.0059(3)
O1y1 0.0036(3) -0.002(2)
O1z1 0.00433(16) 0.00385(15)
O1x2 -0.0096(3) -0.0084(3)
O1y2 -0.0016(3) 0.0061(3)
O1z2 -0.00353(16) 0.00083(16)
O1x3 0.0012(3) -0.0009(2)
O1y3 -0.0004(2) 0.0004(2)
O1z3 0.00057(11) 0.00025(11)
O1x4 0.0006(2) -0.0005(2)
O1y4 0(2) 0.0003(2)
O1z4 0.00007(11) 0.00064(10)
O2x1 -0.0015(3) 0.0054(3)
O2y1 0.0088(3) 0.0076(3)
O2z1 -0.0033(16) 0.00089(16)
O2x2 0.0036(3) 0.0017(2)
O2y2 0.0039(3) 0.0067(3)
O2z2 0.00434(16) -0.0036(15)
O2x3 0.0002(2) 0.0002(2)
O2y3 -0.0011(2) -0.0006(2)
O2z3 0.00036(11) -0.00048(11)
O2x4 -0.0005(2) 0.0003(2)
O2y4 -0.0015(2) 0.0007(2)
O2z4 0.00046(11) 0.0003(11)

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
Mo1U111 Mo1 U11 1
Mo1U221 Mo1 U22 1
Mo1U331 Mo1 U33 1
Mo1U121 Mo1 U12 1
Mo1U131 Mo1 U13 1
Mo1U231 Mo1 U23 1
Mo1U112 Mo1 U11 2
Mo1U222 Mo1 U22 2
Mo1U332 Mo1 U33 2
Mo1U122 Mo1 U12 2
Mo1U132 Mo1 U13 2
Mo1U232 Mo1 U23 2
Mo1U113 Mo1 U11 3
Mo1U223 Mo1 U22 3
Mo1U333 Mo1 U33 3
Mo1U123 Mo1 U12 3
Mo1U133 Mo1 U13 3
Mo1U233 Mo1 U23 3
Mo1U114 Mo1 U11 4
Mo1U224 Mo1 U22 4
Mo1U334 Mo1 U33 4
Mo1U124 Mo1 U12 4
Mo1U134 Mo1 U13 4
Mo1U234 Mo1 U23 4
Mo2U111 Mo2 U11 1
Mo2U221 Mo2 U22 1
Mo2U331 Mo2 U33 1
Mo2U121 Mo2 U12 1
Mo2U131 Mo2 U13 1
Mo2U231 Mo2 U23 1
Mo2U112 Mo2 U11 2
Mo2U222 Mo2 U22 2
Mo2U332 Mo2 U33 2
Mo2U122 Mo2 U12 2
Mo2U132 Mo2 U13 2
Mo2U232 Mo2 U23 2
Mo2U113 Mo2 U11 3
Mo2U223 Mo2 U22 3
Mo2U333 Mo2 U33 3
Mo2U123 Mo2 U12 3
Mo2U133 Mo2 U13 3
Mo2U233 Mo2 U23 3
Mo2U114 Mo2 U11 4
Mo2U224 Mo2 U22 4
Mo2U334 Mo2 U33 4
Mo2U124 Mo2 U12 4
Mo2U134 Mo2 U13 4
Mo2U234 Mo2 U23 4
Na1U111 Na1 U11 1
Na1U221 Na1 U22 1
Na1U331 Na1 U33 1
Na1U121 Na1 U12 1
Na1U131 Na1 U13 1
Na1U231 Na1 U23 1
Na1U112 Na1 U11 2
Na1U222 Na1 U22 2
Na1U332 Na1 U33 2
Na1U122 Na1 U12 2
Na1U132 Na1 U13 2
Na1U232 Na1 U23 2
Na1U113 Na1 U11 3
Na1U223 Na1 U22 3
Na1U333 Na1 U33 3
Na1U123 Na1 U12 3
Na1U133 Na1 U13 3
Na1U233 Na1 U23 3
Na1U114 Na1 U11 4
Na1U224 Na1 U22 4
Na1U334 Na1 U33 4
Na1U124 Na1 U12 4
Na1U134 Na1 U13 4
Na1U234 Na1 U23 4
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
Na2U113 Na2 U11 3
Na2U223 Na2 U22 3
Na2U333 Na2 U33 3
Na2U123 Na2 U12 3
Na2U133 Na2 U13 3
Na2U233 Na2 U23 3
Na2U114 Na2 U11 4
Na2U224 Na2 U22 4
Na2U334 Na2 U33 4
Na2U124 Na2 U12 4
Na2U134 Na2 U13 4
Na2U234 Na2 U23 4
Gd1U111 Gd1 U11 1
Gd1U221 Gd1 U22 1
Gd1U331 Gd1 U33 1
Gd1U121 Gd1 U12 1
Gd1U131 Gd1 U13 1
Gd1U231 Gd1 U23 1
Gd1U112 Gd1 U11 2
Gd1U222 Gd1 U22 2
Gd1U332 Gd1 U33 2
Gd1U122 Gd1 U12 2
Gd1U132 Gd1 U13 2
Gd1U232 Gd1 U23 2
Gd1U113 Gd1 U11 3
Gd1U223 Gd1 U22 3
Gd1U333 Gd1 U33 3
Gd1U123 Gd1 U12 3
Gd1U133 Gd1 U13 3
Gd1U233 Gd1 U23 3
Gd1U114 Gd1 U11 4
Gd1U224 Gd1 U22 4
Gd1U334 Gd1 U33 4
Gd1U124 Gd1 U12 4
Gd1U134 Gd1 U13 4
Gd1U234 Gd1 U23 4
Gd2U111 Gd2 U11 1
Gd2U221 Gd2 U22 1
Gd2U331 Gd2 U33 1
Gd2U121 Gd2 U12 1
Gd2U131 Gd2 U13 1
Gd2U231 Gd2 U23 1
Gd2U112 Gd2 U11 2
Gd2U222 Gd2 U22 2
Gd2U332 Gd2 U33 2
Gd2U122 Gd2 U12 2
Gd2U132 Gd2 U13 2
Gd2U232 Gd2 U23 2
Gd2U113 Gd2 U11 3
Gd2U223 Gd2 U22 3
Gd2U333 Gd2 U33 3
Gd2U123 Gd2 U12 3
Gd2U133 Gd2 U13 3
Gd2U233 Gd2 U23 3
Gd2U114 Gd2 U11 4
Gd2U224 Gd2 U22 4
Gd2U334 Gd2 U33 4
Gd2U124 Gd2 U12 4
Gd2U134 Gd2 U13 4
Gd2U234 Gd2 U23 4
O1U111 O1 U11 1
O1U221 O1 U22 1
O1U331 O1 U33 1
O1U121 O1 U12 1
O1U131 O1 U13 1
O1U231 O1 U23 1
O1U112 O1 U11 2
O1U222 O1 U22 2
O1U332 O1 U33 2
O1U122 O1 U12 2
O1U132 O1 U13 2
O1U232 O1 U23 2
O1U113 O1 U11 3
O1U223 O1 U22 3
O1U333 O1 U33 3
O1U123 O1 U12 3
O1U133 O1 U13 3
O1U233 O1 U23 3
O1U114 O1 U11 4
O1U224 O1 U22 4
O1U334 O1 U33 4
O1U124 O1 U12 4
O1U134 O1 U13 4
O1U234 O1 U23 4
O2U111 O2 U11 1
O2U221 O2 U22 1
O2U331 O2 U33 1
O2U121 O2 U12 1
O2U131 O2 U13 1
O2U231 O2 U23 1
O2U112 O2 U11 2
O2U222 O2 U22 2
O2U332 O2 U33 2
O2U122 O2 U12 2
O2U132 O2 U13 2
O2U232 O2 U23 2
O2U113 O2 U11 3
O2U223 O2 U22 3
O2U333 O2 U33 3
O2U123 O2 U12 3
O2U133 O2 U13 3
O2U233 O2 U23 3
O2U114 O2 U11 4
O2U224 O2 U22 4
O2U334 O2 U33 4
O2U124 O2 U12 4
O2U134 O2 U13 4
O2U234 O2 U23 4

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Mo1U111 -0.0003(2) 0
Mo1U221 -0.0011(2) 0
Mo1U331 -0.00184(11) 0
Mo1U121 -0.00056(14) 0
Mo1U131 0 0.00159(16)
Mo1U231 0 -0.00082(18)
Mo1U112 -0.0011(2) 0
Mo1U222 -0.0003(2) 0
Mo1U332 -0.00184(11) 0
Mo1U122 0.00056(14) 0
Mo1U132 0 -0.00082(18)
Mo1U232 0 -0.00159(16)
Mo1U113 -0.00087(8) 0
Mo1U223 -0.00133(8) 0
Mo1U333 -0.00166(12) 0
Mo1U123 0.00036(7) 0
Mo1U133 0 -0.00016(9)
Mo1U233 0 0.00013(10)
Mo1U114 -0.00133(8) 0
Mo1U224 -0.00087(8) 0
Mo1U334 -0.00166(12) 0
Mo1U124 -0.00036(7) 0
Mo1U134 0 -0.00013(10)
Mo1U234 0 -0.00016(9)
Mo2U111 -0.00043(16) 0
Mo2U221 -0.00039(18) 0
Mo2U331 0.00092(13) 0
Mo2U121 -0.00099(11) 0
Mo2U131 0 -0.00291(18)
Mo2U231 0 -0.00043(18)
Mo2U112 -0.00039(18) 0
Mo2U222 -0.00043(16) 0
Mo2U332 0.00092(13) 0
Mo2U122 0.00099(11) 0
Mo2U132 0 -0.00043(18)
Mo2U232 0 0.00291(18)
Mo2U113 0.00197(14) 0
Mo2U223 0.0002(13) 0
Mo2U333 0.00148(18) 0
Mo2U123 -0.00033(8) 0
Mo2U133 0 -0.0002(7)
Mo2U233 0 0.00022(8)
Mo2U114 0.0002(13) 0
Mo2U224 0.00197(14) 0
Mo2U334 0.00148(18) 0
Mo2U124 0.00033(8) 0
Mo2U134 0 -0.00022(8)
Mo2U234 0 -0.0002(7)
Na1U111 0.00311(18) 0
Na1U221 0.00135(19) 0
Na1U331 0.00008(17) 0
Na1U121 0.00002(10) 0
Na1U131 0 -0.00007(14)
Na1U231 0 -0.00015(14)
Na1U112 0.00135(19) 0
Na1U222 0.00311(18) 0
Na1U332 0.00008(17) 0
Na1U122 -0.00002(10) 0
Na1U132 0 -0.00015(14)
Na1U232 0 0.00007(14)
Na1U113 0.00171(16) 0
Na1U223 0.00126(13) 0
Na1U333 0(18) 0
Na1U123 0.00024(7) 0
Na1U133 0 -0.00005(7)
Na1U233 0 -0.00016(8)
Na1U114 0.00126(13) 0
Na1U224 0.00171(16) 0
Na1U334 0(18) 0
Na1U124 -0.00024(7) 0
Na1U134 0 0.00016(8)
Na1U234 0 -0.00005(7)
Na2U111 -0.0016(2) 0
Na2U221 -0.0024(2) 0
Na2U331 -0.0019(13) 0
Na2U121 -0.00027(12) 0
Na2U131 0 -0.00079(14)
Na2U231 0 -0.00006(14)
Na2U112 -0.0024(2) 0
Na2U222 -0.0016(2) 0
Na2U332 -0.0019(13) 0
Na2U122 0.00027(12) 0
Na2U132 0 -0.00006(14)
Na2U232 0 0.00079(14)
Na2U113 0.00014(11) 0
Na2U223 -0.00011(9) 0
Na2U333 -0.00046(13) 0
Na2U123 -0.0002(6) 0
Na2U133 0 0.00015(9)
Na2U233 0 -0.00017(10)
Na2U114 -0.00011(9) 0
Na2U224 0.00014(11) 0
Na2U334 -0.00046(13) 0
Na2U124 0.0002(6) 0
Na2U134 0 0.00017(10)
Na2U234 0 0.00015(9)
Gd1U111 0.00311(18) 0
Gd1U221 0.00135(19) 0
Gd1U331 0.00008(17) 0
Gd1U121 0.00002(10) 0
Gd1U131 0 -0.00007(14)
Gd1U231 0 -0.00015(14)
Gd1U112 0.00135(19) 0
Gd1U222 0.00311(18) 0
Gd1U332 0.00008(17) 0
Gd1U122 -0.00002(10) 0
Gd1U132 0 -0.00015(14)
Gd1U232 0 0.00007(14)
Gd1U113 0.00171(16) 0
Gd1U223 0.00126(13) 0
Gd1U333 0(18) 0
Gd1U123 0.00024(7) 0
Gd1U133 0 -0.00005(7)
Gd1U233 0 -0.00016(8)
Gd1U114 0.00126(13) 0
Gd1U224 0.00171(16) 0
Gd1U334 0(18) 0
Gd1U124 -0.00024(7) 0
Gd1U134 0 0.00016(8)
Gd1U234 0 -0.00005(7)
Gd2U111 -0.0016(2) 0
Gd2U221 -0.0024(2) 0
Gd2U331 -0.0019(13) 0
Gd2U121 -0.00027(12) 0
Gd2U131 0 -0.00079(14)
Gd2U231 0 -0.00006(14)
Gd2U112 -0.0024(2) 0
Gd2U222 -0.0016(2) 0
Gd2U332 -0.0019(13) 0
Gd2U122 0.00027(12) 0
Gd2U132 0 -0.00006(14)
Gd2U232 0 0.00079(14)
Gd2U113 0.00014(11) 0
Gd2U223 -0.00011(9) 0
Gd2U333 -0.00046(13) 0
Gd2U123 -0.0002(6) 0
Gd2U133 0 0.00015(9)
Gd2U233 0 -0.00017(10)
Gd2U114 -0.00011(9) 0
Gd2U224 0.00014(11) 0
Gd2U334 -0.00046(13) 0
Gd2U124 0.0002(6) 0
Gd2U134 0 0.00017(10)
Gd2U234 0 0.00015(9)
O1U111 -0.0002(6) 0(6)
O1U221 0.0007(5) -0.0006(5)
O1U331 0.0012(8) -0.0033(7)
O1U121 -0.0013(5) 0.0005(5)
O1U131 -0.0045(6) -0.0013(6)
O1U231 0.0001(5) 0.0001(5)
O1U112 -0.0008(6) 0.0014(6)
O1U222 0.0002(5) 0.0026(6)
O1U332 0.0021(7) 0.0062(7)
O1U122 0.0029(5) -0.0014(5)
O1U132 0.0035(5) 0.0009(6)
O1U232 0(5) 0.0009(5)
O1U113 0.0014(6) -0.001(6)
O1U223 0.0004(5) -0.0006(5)
O1U333 0.0011(6) -0.0012(6)
O1U123 -0.0009(4) 0.0003(4)
O1U133 0.001(4) -0.001(4)
O1U233 0.0008(4) -0.0011(4)
O1U114 -0.0027(6) 0.0008(6)
O1U224 0.0003(5) 0.0001(5)
O1U334 0.0019(6) -0.0008(5)
O1U124 0.001(4) 0.0003(4)
O1U134 0.0008(4) 0.001(4)
O1U234 0.0017(4) -0.001(4)
O2U111 0.0006(5) 0.0004(6)
O2U221 0.0007(6) 0.0015(5)
O2U331 0.0057(8) 0.0057(7)
O2U121 -0.0019(5) 0.0016(4)
O2U131 -0.0001(5) 0.0003(5)
O2U231 -0.0033(5) -0.0001(5)
O2U112 0.0001(5) 0.0012(5)
O2U222 0.0008(6) 0.0006(6)
O2U332 0.0006(8) 0.0034(8)
O2U122 0.0019(5) 0.0004(5)
O2U132 0.0006(5) -0.0006(5)
O2U232 0.0052(5) 0.0002(6)
O2U113 0.0002(5) -0.0001(5)
O2U223 -0.0013(5) -0.0011(5)
O2U333 0.0026(6) -0.0012(6)
O2U123 -0.0015(4) -0.0002(4)
O2U133 0.0007(4) 0.0006(4)
O2U233 -0.001(4) 0.0012(4)
O2U114 -0.0002(5) -0.0003(5)
O2U224 0.0004(6) -0.0016(5)
O2U334 -0.0002(6) -0.0018(6)
O2U124 -0.0002(4) -0.0004(4)
O2U134 0.0002(4) -0.0004(4)
O2U234 -0.0002(4) 0.0006(4)