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A Double Charge Density Wave in the Single Tellurium Square Net in Cu0.63EuTe2?

Authors:

Kanatzidis, Mercouri G.; Malliakas, Christos D.

Journal:

Journal of the American Chemical Society 131 6896-6897 (2009)

DOI:

https://dx.doi.org/10.1021/ja900091f

B-IncStrDB ID: RG0JFoFkAid Entry date: 2022-01-10 Last revision: 2024-01-02

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(I)

Chemical data

Structural Formula Sum: Cu0.63 Eu1 Te2 [ Help ]

Formula weight: 447.2 Da [ Help ]

Crystallographic data and experimental details

Crystal system: monoclinic [ Help ]

Superspace group name: Xm(0β10)(0β20)0 [ Help ]

Symmetry operations of the superspace group: [ Help ]

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

a: 4.4536(2) Å [ Help ]

b: 4.4723(2) Å [ Help ]

c: 20.2982(8) Å [ Help ]

α: 90 ° [ Help ]

β: 90 ° [ Help ]

γ: 90 ° [ Help ]

Volume: 404.30(3) Å3 [ Help ]

Modulation dimension: 2 [ Help ]

Measured independent wave vectors: [ Help ]

Wave vector id q_x q_y q_z
1 0.00000 0.2910(2) 0.00000
2 0.00000 0.3557(3) 0.00000

Z: 4 [ Help ]

Cell determination reflection Nb.: 20018 [ Help ]

Cell measurement temperature: 100.0(3) K [ Help ]

μ: 32.633 mm-1 [ Help ]

Absorption correction type: integration [ Help ]

Minimum transmission factor: 0.0531 [ Help ]

Maximum transmission factor: 0.4664 [ Help ]

Absorption correction remarks: X-Shape [ Help ]

Refinement details

Total nb. of reflections: 9210 [ Help ]

Nb. of observed reflections: 4086 [ Help ]

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

Refinement based on: Fsqd [ Help ]

R(obs): 0.0659 [ Help ]

wR(obs): 0.2190 [ Help ]

R(all): 0.1133 [ Help ]

wR(all): 0.2373 [ Help ]

S(all): 2.56 [ Help ]

S(obs): 3.62 [ Help ]

Nb. of reflections: 9210 [ Help ]

Nb. of parameters: 347 [ Help ]

Number of restraints: 0 [ Help ]

Number of constraints: 2 [ Help ]

Weighting scheme: sigma [ Help ]

Weighting scheme remarks: w=1/(σ2(I)+0.0016I2) [ Help ]

Δ/σ(max): 0.4606 [ Help ]

Δ/σ(mean): 0.0403 [ Help ]

Δρ(max): 3.83 e_Å-3 [ Help ]

Δρ(min): -3.46 e_Å-3 [ Help ]

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

Extinction coefficient: 0.070(16) [ 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
Eu1a Eu 0.001917 0 0.192498 Uani 0.0162(2) 2 1 d . . .
Eu1b Eu 0.50216(18) 0.5 0.45219(4) Uani 0.0167(2) 2 1 d . . .
Te1a Te 0.0039(3) 0 0.00134(5) Uani 0.0105(2) 2 1 d . . .
Te1b Te 0.5040(3) 0.5 0.14364(5) Uani 0.0144(3) 2 1 d . . .
Te2a Te 0.0017(7) 0.5 0.32251(12) Uani 0.0173(3) 2 1 d . . .
Te2b Te 0.5002(6) 0 0.32207(11) Uani 0.0155(3) 2 1 d . . .
Cu1a Cu 0.0060(13) 0.5 0.0715(2) Uani 0.0110(6) 2 0.707(8) d . . .
Cu1b Cu 0.508(2) 0 0.0710(4) Uani 0.0245(13) 2 0.537(8) d . . .

ADP components: [ Help ]

Atom site label Atom site symbol U11 U22 U33 U12 U13 U23
Eu1a Eu 0.0123(3) 0.0101(3) 0.0261(4) 0 0.0020(3) 0
Eu1b Eu 0.0136(3) 0.0116(3) 0.0249(4) 0 -0.0017(3) 0
Te1a Te 0.0089(3) 0.0099(4) 0.0126(5) 0 -0.0001(4) 0
Te1b Te 0.0127(4) 0.0083(4) 0.0223(7) 0 0.0012(4) 0
Te2a Te 0.0197(5) 0.0167(5) 0.0155(4) 0 -0.0005(3) 0
Te2b Te 0.0153(5) 0.0185(5) 0.0128(4) 0 0.0008(3) 0
Cu1a Cu 0.0169(11) 0.0102(12) 0.0058(9) 0 -0.0002(7) 0
Cu1b Cu 0.026(3) 0.023(2) 0.0246(18) 0 0.0014(16) 0

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 0.00000 0.29100 0.00000
2 0.00000 0.35570 0.00000
3 0.00000 0.64670 0.00000
4 0.00000 -0.06470 0.00000

Definition of the occupation Fourier series: [ Help ]

Modulation code Atom site label Wave vector code
Cu1ao1 Cu1a 1
Cu1ao2 Cu1a 2
Cu1ao3 Cu1a 3
Cu1ao4 Cu1a 4
Cu1bo1 Cu1b 1
Cu1bo2 Cu1b 2
Cu1bo3 Cu1b 3
Cu1bo4 Cu1b 4

Occupation Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Cu1ao1 0.018(12) 0
Cu1ao2 0.010(11) 0
Cu1ao3 -0.031(10) 0
Cu1ao4 0.009(19) 0
Cu1bo1 0.072(13) 0
Cu1bo2 0.010(12) 0
Cu1bo3 0.044(12) 0
Cu1bo4 0.00(2) 0

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

Modulation code Atom site label Displacement axis Wave vector code
Eu1ax1 Eu1a x 1
Eu1ay1 Eu1a y 1
Eu1az1 Eu1a z 1
Eu1ax2 Eu1a x 2
Eu1ay2 Eu1a y 2
Eu1az2 Eu1a z 2
Eu1ax3 Eu1a x 3
Eu1ay3 Eu1a y 3
Eu1az3 Eu1a z 3
Eu1ax4 Eu1a x 4
Eu1ay4 Eu1a y 4
Eu1az4 Eu1a z 4
Eu1bx1 Eu1b x 1
Eu1by1 Eu1b y 1
Eu1bz1 Eu1b z 1
Eu1bx2 Eu1b x 2
Eu1by2 Eu1b y 2
Eu1bz2 Eu1b z 2
Eu1bx3 Eu1b x 3
Eu1by3 Eu1b y 3
Eu1bz3 Eu1b z 3
Eu1bx4 Eu1b x 4
Eu1by4 Eu1b y 4
Eu1bz4 Eu1b z 4
Te1ax1 Te1a x 1
Te1ay1 Te1a y 1
Te1az1 Te1a z 1
Te1ax2 Te1a x 2
Te1ay2 Te1a y 2
Te1az2 Te1a z 2
Te1ax3 Te1a x 3
Te1ay3 Te1a y 3
Te1az3 Te1a z 3
Te1ax4 Te1a x 4
Te1ay4 Te1a y 4
Te1az4 Te1a z 4
Te1bx1 Te1b x 1
Te1by1 Te1b y 1
Te1bz1 Te1b z 1
Te1bx2 Te1b x 2
Te1by2 Te1b y 2
Te1bz2 Te1b z 2
Te1bx3 Te1b x 3
Te1by3 Te1b y 3
Te1bz3 Te1b z 3
Te1bx4 Te1b x 4
Te1by4 Te1b y 4
Te1bz4 Te1b z 4
Te2ax1 Te2a x 1
Te2ay1 Te2a y 1
Te2az1 Te2a z 1
Te2ax2 Te2a x 2
Te2ay2 Te2a y 2
Te2az2 Te2a z 2
Te2ax3 Te2a x 3
Te2ay3 Te2a y 3
Te2az3 Te2a z 3
Te2ax4 Te2a x 4
Te2ay4 Te2a y 4
Te2az4 Te2a z 4
Te2bx1 Te2b x 1
Te2by1 Te2b y 1
Te2bz1 Te2b z 1
Te2bx2 Te2b x 2
Te2by2 Te2b y 2
Te2bz2 Te2b z 2
Te2bx3 Te2b x 3
Te2by3 Te2b y 3
Te2bz3 Te2b z 3
Te2bx4 Te2b x 4
Te2by4 Te2b y 4
Te2bz4 Te2b z 4
Cu1ax1 Cu1a x 1
Cu1ay1 Cu1a y 1
Cu1az1 Cu1a z 1
Cu1ax2 Cu1a x 2
Cu1ay2 Cu1a y 2
Cu1az2 Cu1a z 2
Cu1ax3 Cu1a x 3
Cu1ay3 Cu1a y 3
Cu1az3 Cu1a z 3
Cu1ax4 Cu1a x 4
Cu1ay4 Cu1a y 4
Cu1az4 Cu1a z 4
Cu1bx1 Cu1b x 1
Cu1by1 Cu1b y 1
Cu1bz1 Cu1b z 1
Cu1bx2 Cu1b x 2
Cu1by2 Cu1b y 2
Cu1bz2 Cu1b z 2
Cu1bx3 Cu1b x 3
Cu1by3 Cu1b y 3
Cu1bz3 Cu1b z 3
Cu1bx4 Cu1b x 4
Cu1by4 Cu1b y 4
Cu1bz4 Cu1b z 4

Displacive (translational) Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Eu1ax1 0.0010(2) 0
Eu1ay1 0 0.0011(2)
Eu1az1 0.00246(5) 0
Eu1ax2 -0.0005(3) 0
Eu1ay2 0 0.0012(2)
Eu1az2 -0.00005(6) 0
Eu1ax3 0.0019(2) 0
Eu1ay3 0 -0.00140(15)
Eu1az3 0.00048(5) 0
Eu1ax4 0.0000(3) 0
Eu1ay4 0 0.0001(3)
Eu1az4 -0.00005(8) 0
Eu1bx1 -0.0010(2) 0
Eu1by1 0 -0.0009(2)
Eu1bz1 0.00198(7) 0
Eu1bx2 0.0036(2) 0
Eu1by2 0 0.0002(2)
Eu1bz2 -0.00014(7) 0
Eu1bx3 0.0033(2) 0
Eu1by3 0 0.00113(15)
Eu1bz3 -0.00038(5) 0
Eu1bx4 -0.0002(3) 0
Eu1by4 0 0.0003(3)
Eu1bz4 -0.00002(8) 0
Te1ax1 0.0001(2) 0
Te1ay1 0 -0.0039(2)
Te1az1 -0.00087(5) 0
Te1ax2 -0.00004(19) 0
Te1ay2 0 -0.0002(2)
Te1az2 -0.00005(6) 0
Te1ax3 -0.00013(17) 0
Te1ay3 0 0.00000(16)
Te1az3 0.00020(4) 0
Te1ax4 0.0001(4) 0
Te1ay4 0 0.0000(4)
Te1az4 -0.00019(10) 0
Te1bx1 0.0000(2) 0
Te1by1 0 -0.0044(2)
Te1bz1 0.00093(6) 0
Te1bx2 0.0001(2) 0
Te1by2 0 -0.0006(2)
Te1bz2 0.00005(6) 0
Te1bx3 -0.00020(19) 0
Te1by3 0 -0.00041(16)
Te1bz3 -0.00026(5) 0
Te1bx4 -0.0008(3) 0
Te1by4 0 -0.0003(4)
Te1bz4 0.00006(9) 0
Te2ax1 0.0000(4) 0
Te2ay1 0 0.0111(3)
Te2az1 0.00117(7) 0
Te2ax2 0.0164(3) 0
Te2ay2 0 -0.0017(5)
Te2az2 -0.00011(7) 0
Te2ax3 0.0198(3) 0
Te2ay3 0 0.0049(3)
Te2az3 -0.00010(5) 0
Te2ax4 0.0023(5) 0
Te2ay4 0 0.0035(4)
Te2az4 0.00032(11) 0
Te2bx1 0.0003(4) 0
Te2by1 0 -0.0068(3)
Te2bz1 0.00150(6) 0
Te2bx2 -0.0122(3) 0
Te2by2 0 0.0013(5)
Te2bz2 -0.00007(6) 0
Te2bx3 0.0139(2) 0
Te2by3 0 0.0037(2)
Te2bz3 0.00008(5) 0
Te2bx4 0.0012(4) 0
Te2by4 0 0.0000(4)
Te2bz4 -0.00012(11) 0
Cu1ax1 0.0007(7) 0
Cu1ay1 0 -0.0035(9)
Cu1az1 0.00030(17) 0
Cu1ax2 0.0031(18) 0
Cu1ay2 0 0.0004(6)
Cu1az2 -0.0004(2) 0
Cu1ax3 0.0003(5) 0
Cu1ay3 0 0.0028(6)
Cu1az3 -0.00062(11) 0
Cu1ax4 0.0007(11) 0
Cu1ay4 0 0.0000(9)
Cu1az4 -0.0001(2) 0
Cu1bx1 0.0003(12) 0
Cu1by1 0 -0.0099(16)
Cu1bz1 0.0007(3) 0
Cu1bx2 0.000(3) 0
Cu1by2 0 0.0008(11)
Cu1bz2 -0.0001(4) 0
Cu1bx3 -0.0012(10) 0
Cu1by3 0 -0.0011(10)
Cu1bz3 0.0011(2) 0
Cu1bx4 0.0008(17) 0
Cu1by4 0 -0.0007(15)
Cu1bz4 -0.0006(5) 0

Definition of the ADP Fourier series: [ Help ]

Modulation code Atom site label Tensor element Wave vector code
Eu1aU111 Eu1a U11 1
Eu1aU221 Eu1a U22 1
Eu1aU331 Eu1a U33 1
Eu1aU121 Eu1a U12 1
Eu1aU131 Eu1a U13 1
Eu1aU231 Eu1a U23 1
Eu1aU112 Eu1a U11 2
Eu1aU222 Eu1a U22 2
Eu1aU332 Eu1a U33 2
Eu1aU122 Eu1a U12 2
Eu1aU132 Eu1a U13 2
Eu1aU232 Eu1a U23 2
Eu1aU113 Eu1a U11 3
Eu1aU223 Eu1a U22 3
Eu1aU333 Eu1a U33 3
Eu1aU123 Eu1a U12 3
Eu1aU133 Eu1a U13 3
Eu1aU233 Eu1a U23 3
Eu1aU114 Eu1a U11 4
Eu1aU224 Eu1a U22 4
Eu1aU334 Eu1a U33 4
Eu1aU124 Eu1a U12 4
Eu1aU134 Eu1a U13 4
Eu1aU234 Eu1a U23 4
Eu1bU111 Eu1b U11 1
Eu1bU221 Eu1b U22 1
Eu1bU331 Eu1b U33 1
Eu1bU121 Eu1b U12 1
Eu1bU131 Eu1b U13 1
Eu1bU231 Eu1b U23 1
Eu1bU112 Eu1b U11 2
Eu1bU222 Eu1b U22 2
Eu1bU332 Eu1b U33 2
Eu1bU122 Eu1b U12 2
Eu1bU132 Eu1b U13 2
Eu1bU232 Eu1b U23 2
Eu1bU113 Eu1b U11 3
Eu1bU223 Eu1b U22 3
Eu1bU333 Eu1b U33 3
Eu1bU123 Eu1b U12 3
Eu1bU133 Eu1b U13 3
Eu1bU233 Eu1b U23 3
Eu1bU114 Eu1b U11 4
Eu1bU224 Eu1b U22 4
Eu1bU334 Eu1b U33 4
Eu1bU124 Eu1b U12 4
Eu1bU134 Eu1b U13 4
Eu1bU234 Eu1b U23 4
Te1aU111 Te1a U11 1
Te1aU221 Te1a U22 1
Te1aU331 Te1a U33 1
Te1aU121 Te1a U12 1
Te1aU131 Te1a U13 1
Te1aU231 Te1a U23 1
Te1aU112 Te1a U11 2
Te1aU222 Te1a U22 2
Te1aU332 Te1a U33 2
Te1aU122 Te1a U12 2
Te1aU132 Te1a U13 2
Te1aU232 Te1a U23 2
Te1aU113 Te1a U11 3
Te1aU223 Te1a U22 3
Te1aU333 Te1a U33 3
Te1aU123 Te1a U12 3
Te1aU133 Te1a U13 3
Te1aU233 Te1a U23 3
Te1aU114 Te1a U11 4
Te1aU224 Te1a U22 4
Te1aU334 Te1a U33 4
Te1aU124 Te1a U12 4
Te1aU134 Te1a U13 4
Te1aU234 Te1a U23 4
Te1bU111 Te1b U11 1
Te1bU221 Te1b U22 1
Te1bU331 Te1b U33 1
Te1bU121 Te1b U12 1
Te1bU131 Te1b U13 1
Te1bU231 Te1b U23 1
Te1bU112 Te1b U11 2
Te1bU222 Te1b U22 2
Te1bU332 Te1b U33 2
Te1bU122 Te1b U12 2
Te1bU132 Te1b U13 2
Te1bU232 Te1b U23 2
Te1bU113 Te1b U11 3
Te1bU223 Te1b U22 3
Te1bU333 Te1b U33 3
Te1bU123 Te1b U12 3
Te1bU133 Te1b U13 3
Te1bU233 Te1b U23 3
Te1bU114 Te1b U11 4
Te1bU224 Te1b U22 4
Te1bU334 Te1b U33 4
Te1bU124 Te1b U12 4
Te1bU134 Te1b U13 4
Te1bU234 Te1b U23 4
Te2aU111 Te2a U11 1
Te2aU221 Te2a U22 1
Te2aU331 Te2a U33 1
Te2aU121 Te2a U12 1
Te2aU131 Te2a U13 1
Te2aU231 Te2a U23 1
Te2aU112 Te2a U11 2
Te2aU222 Te2a U22 2
Te2aU332 Te2a U33 2
Te2aU122 Te2a U12 2
Te2aU132 Te2a U13 2
Te2aU232 Te2a U23 2
Te2aU113 Te2a U11 3
Te2aU223 Te2a U22 3
Te2aU333 Te2a U33 3
Te2aU123 Te2a U12 3
Te2aU133 Te2a U13 3
Te2aU233 Te2a U23 3
Te2aU114 Te2a U11 4
Te2aU224 Te2a U22 4
Te2aU334 Te2a U33 4
Te2aU124 Te2a U12 4
Te2aU134 Te2a U13 4
Te2aU234 Te2a U23 4
Te2bU111 Te2b U11 1
Te2bU221 Te2b U22 1
Te2bU331 Te2b U33 1
Te2bU121 Te2b U12 1
Te2bU131 Te2b U13 1
Te2bU231 Te2b U23 1
Te2bU112 Te2b U11 2
Te2bU222 Te2b U22 2
Te2bU332 Te2b U33 2
Te2bU122 Te2b U12 2
Te2bU132 Te2b U13 2
Te2bU232 Te2b U23 2
Te2bU113 Te2b U11 3
Te2bU223 Te2b U22 3
Te2bU333 Te2b U33 3
Te2bU123 Te2b U12 3
Te2bU133 Te2b U13 3
Te2bU233 Te2b U23 3
Te2bU114 Te2b U11 4
Te2bU224 Te2b U22 4
Te2bU334 Te2b U33 4
Te2bU124 Te2b U12 4
Te2bU134 Te2b U13 4
Te2bU234 Te2b U23 4
Cu1aU111 Cu1a U11 1
Cu1aU221 Cu1a U22 1
Cu1aU331 Cu1a U33 1
Cu1aU121 Cu1a U12 1
Cu1aU131 Cu1a U13 1
Cu1aU231 Cu1a U23 1
Cu1aU112 Cu1a U11 2
Cu1aU222 Cu1a U22 2
Cu1aU332 Cu1a U33 2
Cu1aU122 Cu1a U12 2
Cu1aU132 Cu1a U13 2
Cu1aU232 Cu1a U23 2
Cu1aU113 Cu1a U11 3
Cu1aU223 Cu1a U22 3
Cu1aU333 Cu1a U33 3
Cu1aU123 Cu1a U12 3
Cu1aU133 Cu1a U13 3
Cu1aU233 Cu1a U23 3
Cu1aU114 Cu1a U11 4
Cu1aU224 Cu1a U22 4
Cu1aU334 Cu1a U33 4
Cu1aU124 Cu1a U12 4
Cu1aU134 Cu1a U13 4
Cu1aU234 Cu1a U23 4
Cu1bU111 Cu1b U11 1
Cu1bU221 Cu1b U22 1
Cu1bU331 Cu1b U33 1
Cu1bU121 Cu1b U12 1
Cu1bU131 Cu1b U13 1
Cu1bU231 Cu1b U23 1
Cu1bU112 Cu1b U11 2
Cu1bU222 Cu1b U22 2
Cu1bU332 Cu1b U33 2
Cu1bU122 Cu1b U12 2
Cu1bU132 Cu1b U13 2
Cu1bU232 Cu1b U23 2
Cu1bU113 Cu1b U11 3
Cu1bU223 Cu1b U22 3
Cu1bU333 Cu1b U33 3
Cu1bU123 Cu1b U12 3
Cu1bU133 Cu1b U13 3
Cu1bU233 Cu1b U23 3
Cu1bU114 Cu1b U11 4
Cu1bU224 Cu1b U22 4
Cu1bU334 Cu1b U33 4
Cu1bU124 Cu1b U12 4
Cu1bU134 Cu1b U13 4
Cu1bU234 Cu1b U23 4

ADP Fourier coefficients: [ Help ]

Modulation code Cosine coefficient Sine coefficient
Eu1aU111 -0.0013(4) 0
Eu1aU221 -0.0011(4) 0
Eu1aU331 0.0031(7) 0
Eu1aU121 0 -0.0006(3)
Eu1aU131 -0.0013(4) 0
Eu1aU231 0 -0.0019(3)
Eu1aU112 0.0004(4) 0
Eu1aU222 0.0006(4) 0
Eu1aU332 -0.0008(5) 0
Eu1aU122 0 0.0016(3)
Eu1aU132 0.0007(4) 0
Eu1aU232 0 0.0000(4)
Eu1aU113 -0.0006(5) 0
Eu1aU223 0.0001(3) 0
Eu1aU333 0.0016(4) 0
Eu1aU123 0 -0.0019(3)
Eu1aU133 0.0002(4) 0
Eu1aU233 0 -0.0002(3)
Eu1aU114 -0.0005(5) 0
Eu1aU224 0.0010(6) 0
Eu1aU334 0.0003(6) 0
Eu1aU124 0 -0.0002(4)
Eu1aU134 0.0000(4) 0
Eu1aU234 0 -0.0002(5)
Eu1bU111 0.0019(5) 0
Eu1bU221 -0.0003(3) 0
Eu1bU331 0.0044(6) 0
Eu1bU121 0 0.0008(3)
Eu1bU131 -0.0015(4) 0
Eu1bU231 0 0.0008(4)
Eu1bU112 0.0004(4) 0
Eu1bU222 0.0003(4) 0
Eu1bU332 0.0006(5) 0
Eu1bU122 0 0.0022(3)
Eu1bU132 -0.0013(4) 0
Eu1bU232 0 -0.0002(4)
Eu1bU113 -0.0002(5) 0
Eu1bU223 -0.0013(3) 0
Eu1bU333 0.0028(4) 0
Eu1bU123 0 0.0020(3)
Eu1bU133 -0.0002(4) 0
Eu1bU233 0 0.0008(3)
Eu1bU114 -0.0006(5) 0
Eu1bU224 0.0005(6) 0
Eu1bU334 0.0011(7) 0
Eu1bU124 0 -0.0003(4)
Eu1bU134 -0.0001(5) 0
Eu1bU234 0 -0.0001(5)
Te1aU111 0.0003(4) 0
Te1aU221 -0.0005(4) 0
Te1aU331 -0.0004(4) 0
Te1aU121 0 0.0004(4)
Te1aU131 0.0007(3) 0
Te1aU231 0 -0.0004(3)
Te1aU112 -0.0003(3) 0
Te1aU222 -0.0007(4) 0
Te1aU332 0.0007(5) 0
Te1aU122 0 0.0006(3)
Te1aU132 -0.0003(3) 0
Te1aU232 0 -0.0001(4)
Te1aU113 0.0003(3) 0
Te1aU223 -0.0004(3) 0
Te1aU333 -0.0016(4) 0
Te1aU123 0 0.0003(3)
Te1aU133 0.0000(3) 0
Te1aU233 0 0.0000(3)
Te1aU114 0.0013(6) 0
Te1aU224 -0.0005(6) 0
Te1aU334 0.0032(6) 0
Te1aU124 0 -0.0005(5)
Te1aU134 -0.0026(4) 0
Te1aU234 0 0.0002(6)
Te1bU111 0.0001(5) 0
Te1bU221 -0.0011(4) 0
Te1bU331 0.0004(5) 0
Te1bU121 0 0.0005(4)
Te1bU131 -0.0006(4) 0
Te1bU231 0 -0.0006(4)
Te1bU112 -0.0003(4) 0
Te1bU222 -0.0006(5) 0
Te1bU332 0.0008(6) 0
Te1bU122 0 -0.0002(3)
Te1bU132 -0.0002(4) 0
Te1bU232 0 -0.0003(4)
Te1bU113 0.0001(3) 0
Te1bU223 0.0001(3) 0
Te1bU333 -0.0007(4) 0
Te1bU123 0 0.0007(3)
Te1bU133 0.0001(3) 0
Te1bU233 0 -0.0017(3)
Te1bU114 0.0013(6) 0
Te1bU224 -0.0003(7) 0
Te1bU334 -0.0012(7) 0
Te1bU124 0 0.0002(5)
Te1bU134 -0.0004(5) 0
Te1bU234 0 -0.0010(6)
Te2aU111 0.0108(6) 0
Te2aU221 -0.0001(5) 0
Te2aU331 -0.0012(7) 0
Te2aU121 0 -0.0002(6)
Te2aU131 0.0018(5) 0
Te2aU231 0 -0.0020(5)
Te2aU112 0.0036(10) 0
Te2aU222 -0.0005(8) 0
Te2aU332 -0.0005(8) 0
Te2aU122 0 -0.0013(4)
Te2aU132 0.0017(7) 0
Te2aU232 0 0.0010(4)
Te2aU113 0.0053(11) 0
Te2aU223 0.0008(5) 0
Te2aU333 0.0021(6) 0
Te2aU123 0 -0.0007(4)
Te2aU133 -0.0006(7) 0
Te2aU233 0 0.0017(4)
Te2aU114 -0.0008(8) 0
Te2aU224 -0.0004(7) 0
Te2aU334 -0.0001(7) 0
Te2aU124 0 -0.0026(6)
Te2aU134 0.0002(5) 0
Te2aU234 0 0.0004(8)
Te2bU111 -0.0109(5) 0
Te2bU221 -0.0012(5) 0
Te2bU331 -0.0015(7) 0
Te2bU121 0 -0.0006(5)
Te2bU131 0.0019(5) 0
Te2bU231 0 0.0011(5)
Te2bU112 -0.0031(8) 0
Te2bU222 0.0007(8) 0
Te2bU332 0.0029(7) 0
Te2bU122 0 -0.0006(3)
Te2bU132 0.0027(6) 0
Te2bU232 0 0.0002(4)
Te2bU113 0.0002(9) 0
Te2bU223 0.0015(5) 0
Te2bU333 0.0000(6) 0
Te2bU123 0 0.0013(3)
Te2bU133 -0.0030(6) 0
Te2bU233 0 -0.0016(3)
Te2bU114 -0.0006(7) 0
Te2bU224 -0.0002(7) 0
Te2bU334 -0.0033(6) 0
Te2bU124 0 -0.0043(6)
Te2bU134 -0.0032(5) 0
Te2bU234 0 -0.0018(8)
Cu1aU111 0.0036(19) 0
Cu1aU221 -0.0058(16) 0
Cu1aU331 0.0018(12) 0
Cu1aU121 0 -0.0009(9)
Cu1aU131 0.0032(10) 0
Cu1aU231 0 -0.0020(10)
Cu1aU112 0.0028(14) 0
Cu1aU222 0.0009(14) 0
Cu1aU332 -0.0043(15) 0
Cu1aU122 0 0.0014(17)
Cu1aU132 -0.0010(10) 0
Cu1aU232 0 -0.0002(15)
Cu1aU113 -0.001(2) 0
Cu1aU223 -0.0002(13) 0
Cu1aU333 -0.0001(15) 0
Cu1aU123 0 0.0001(8)
Cu1aU133 -0.0004(16) 0
Cu1aU233 0 -0.0042(8)
Cu1aU114 0.002(2) 0
Cu1aU224 0.000(2) 0
Cu1aU334 0.0005(16) 0
Cu1aU124 0 0.0001(15)
Cu1aU134 -0.0009(12) 0
Cu1aU234 0 -0.0008(18)
Cu1bU111 -0.004(3) 0
Cu1bU221 0.010(3) 0
Cu1bU331 -0.004(3) 0
Cu1bU121 0 -0.0019(17)
Cu1bU131 -0.0021(18) 0
Cu1bU231 0 -0.0053(19)
Cu1bU112 0.004(3) 0
Cu1bU222 -0.002(3) 0
Cu1bU332 -0.008(3) 0
Cu1bU122 0 -0.005(3)
Cu1bU132 -0.003(2) 0
Cu1bU232 0 -0.001(3)
Cu1bU113 -0.018(5) 0
Cu1bU223 -0.005(2) 0
Cu1bU333 0.007(3) 0
Cu1bU123 0 -0.0031(16)
Cu1bU133 0.008(3) 0
Cu1bU233 0 0.0104(18)
Cu1bU114 -0.004(3) 0
Cu1bU224 -0.002(4) 0
Cu1bU334 0.003(3) 0
Cu1bU124 0 0.000(3)
Cu1bU134 0.001(2) 0
Cu1bU234 0 0.000(3)