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GdCuAs2, GdAu1−δAs2 and TbAu1−δAs2 crystallize as incommensurately modulated variants of the HfCuSi2 type. Structure models have been developed in the monoclinic superspace group P121/m1(α0γ)00 (No. 11.1). The components of the modulation wavevectors q = αa* + 0b* + γc* are α = 0.04 (1) and γ = 0.48 (1) for GdCuAs2, α = 0.03 (1) and γ = 0.48 (1) for GdAu1−δAs2 and α = 0.02 (1) and γ = 0.46 (1) for TbAu1−δAs2. The predominant effect of the positional modulation is the distortion of a square net of arsenic atoms, which results in planar zigzag chains. Rod groups and layer groups of the respective structure motifs are identified and discussed.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S0108768109029565/ck5036sup1.cif
Contains datablocks global, I, II, III

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S0108768109029565/ck5036Isup2.hkl
Contains datablock I

Computing details top

For all compounds, data collection: X-AREA, STOE, 2006; cell refinement: X-AREA, STOE, 2006; data reduction: X-AREA, STOE, 2002; program(s) used to solve structure: SHELXS97 (Sheldrick, 1997); program(s) used to refine structure: Jana2000 (Petricek, Dusek & Palatinus, 2000); molecular graphics: DIAMOND-Visuelles Informationssystem für Kristallstrukturen

(G. Bergerhoff, Bonn, 1999); software used to prepare material for publication: Jana2000 (Petricek, Dusek & Palatinus, 2000).

Figures top
[Figure 1]
[Figure 2]
[Figure 3]
[Figure 4]
[Figure 5]
[Figure 6]
[Figure 7]
[Figure 8]
[Figure 9]
[Figure 10]
[Figure 11]
[Figure 12]
[Figure 13]
[Figure 14]
(I) top
Crystal data top
As2CuGdF(000) = 318
Mr = 370.6Dx = 8.153 Mg m3
Monoclinic, P21/m(α0γ)00†Mo Kα radiation, λ = 0.71073 Å
q = 0.03570a* + 0.47900c*Cell parameters from 10083 reflections
a = 3.9041 (8) Åθ = 3.0–33.5°
b = 3.9015 (8) ŵ = 50.25 mm1
c = 9.908 (2) ÅT = 293 K
β = 90.05 (3)°Platelet, black
V = 150.92 (5) Å30.26 × 0.06 × 0.02 mm
Z = 2
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Data collection top
STOE IPDS 2
diffractometer
2043 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus751 reflections with I > 3σ(I)
Plane graphite monochromatorRint = 0.094
Detector resolution: 6.67 pixels mm-1θmax = 34.2°, θmin = 3.1°
ω scansh = 66
Absorption correction: numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
k = 56
Tmin = 0.128, Tmax = 0.460l = 1616
10072 measured reflections
Refinement top
Refinement on FWeighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2)
R[F2 > 2σ(F2)] = 0.039(Δ/σ)max = 0.022
wR(F2) = 0.039Δρmax = 1.64 e Å3
S = 1.24Δρmin = 1.97 e Å3
2043 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
77 parametersExtinction coefficient: 0.14 (1)
Crystal data top
As2CuGdβ = 90.05 (3)°
Mr = 370.6V = 150.92 (5) Å3
Monoclinic, P21/m(α0γ)00†Z = 2
q = 0.03570a* + 0.47900c*Mo Kα radiation
a = 3.9041 (8) ŵ = 50.25 mm1
b = 3.9015 (8) ÅT = 293 K
c = 9.908 (2) Å0.26 × 0.06 × 0.02 mm
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Data collection top
STOE IPDS 2
diffractometer
2043 independent reflections
Absorption correction: numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
751 reflections with I > 3σ(I)
Tmin = 0.128, Tmax = 0.460Rint = 0.094
10072 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.03977 parameters
wR(F2) = 0.039Δρmax = 1.64 e Å3
S = 1.24Δρmin = 1.97 e Å3
2043 reflections
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Gd0.2476 (3)0.250.76146 (4)0.01281 (10)
Cu0.7439 (13)0.250.49985 (18)0.0166 (3)
As10.2543 (7)0.250.34179 (8)0.0134 (2)
As20.7398 (11)0.250.99949 (15)0.0173 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Gd0.00981 (17)0.01209 (18)0.01652 (16)00.0015 (9)0
Cu0.0137 (7)0.0150 (5)0.0210 (6)00.005 (2)0
As10.0095 (3)0.0115 (3)0.0192 (4)00.0026 (15)0
As20.0154 (6)0.0192 (5)0.0173 (4)00.0014 (14)0
Bond lengths (Å) top
AverageMinimumMaximum
Gd—Cui3.253 (6)3.239 (6)3.268 (6)
Gd—Cu3.236 (6)3.213 (6)3.260 (6)
Gd—Cuii3.242 (5)3.228 (5)3.255 (5)
Gd—Cuiii3.242 (5)3.228 (5)3.255 (5)
Gd—As1iv2.948 (3)2.945 (3)2.951 (3)
Gd—As1v2.948 (3)2.945 (3)2.951 (3)
Gd—As1ii2.938 (3)2.934 (3)2.943 (3)
Gd—As1iii2.938 (3)2.934 (3)2.943 (3)
Gd—As2i3.082 (5)3.017 (5)3.145 (5)
Gd—As23.042 (5)3.026 (5)3.059 (5)
Gd—As2vi3.070 (4)3.037 (4)3.107 (4)
Gd—As2vii3.070 (4)3.037 (4)3.107 (4)
Cu—Cuii2.726 (5)2.724 (5)2.728 (5)
Cu—Cuiii2.726 (5)2.724 (5)2.728 (5)
Cu—Cuviii2.794 (5)2.787 (5)2.801 (5)
Cu—Cuix2.794 (5)2.787 (5)2.801 (5)
Cu—As12.471 (7)2.464 (7)2.478 (7)
Cu—As1x2.535 (7)2.521 (7)2.548 (7)
Cu—As1ii2.503 (5)2.492 (5)2.515 (5)
Cu—As1iii2.503 (5)2.492 (5)2.515 (5)
As2—As2vi2.705 (5)2.568 (4)2.850 (5)
As2—As2vii2.705 (5)2.568 (4)2.850 (5)
As2—As2xi2.820 (5)2.675 (5)2.967 (5)
As2—As2xii2.820 (5)2.675 (5)2.967 (5)
Symmetry codes: (i) x11, x2, x3, x4; (ii) x1+1, x2, x3+1, x4; (iii) x1+1, x2+1, x3+1, x4; (iv) x1, x2, x3+1, x4; (v) x1, x2+1, x3+1, x4; (vi) x1+1, x2, x3+2, x4; (vii) x1+1, x2+1, x3+2, x4; (viii) x1+2, x2, x3+1, x4; (ix) x1+2, x2+1, x3+1, x4; (x) x1+1, x2, x3, x4; (xi) x1+2, x2, x3+2, x4; (xii) x1+2, x2+1, x3+2, x4.
(II) top
Crystal data top
As2Au0.973GdF(000) = 414
Mr = 498.7Dx = 10.174 Mg m3
Monoclinic, P21/m(α0γ)00†Mo Kα radiation, λ = 0.71073 Å
q = 0.03000a* + 0.48000c*Cell parameters from 6594 reflections
a = 3.9570 (8) Åθ = 3.0–33.5°
b = 4.060 (2) ŵ = 83.84 mm1
c = 10.135 (2) ÅT = 293 K
β = 90.01 (3)°Platelet, black
V = 162.82 (9) Å30.31 × 0.06 × 0.0025 mm
Z = 2
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Data collection top
STOE IPDS 2
diffractometer
2428 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus1634 reflections with I > 3σ(I)
Plane graphite monochromatorRint = 0.077
Detector resolution: 6.67 pixels mm-1θmax = 33.8°, θmin = 3.0°
ω scansh = 65
Absorption correction: numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
k = 66
Tmin = 0.064, Tmax = 0.807l = 1613
9508 measured reflections
Refinement top
Refinement on FWeighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2)
R[F2 > 2σ(F2)] = 0.046(Δ/σ)max = 0.042
wR(F2) = 0.050Δρmax = 3.04 e Å3
S = 2.37Δρmin = 2.62 e Å3
2428 reflectionsExtinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
78 parametersExtinction coefficient: 0.19 (5)
Crystal data top
As2Au0.973Gdβ = 90.01 (3)°
Mr = 498.7V = 162.82 (9) Å3
Monoclinic, P21/m(α0γ)00†Z = 2
q = 0.03000a* + 0.48000c*Mo Kα radiation
a = 3.9570 (8) ŵ = 83.84 mm1
b = 4.060 (2) ÅT = 293 K
c = 10.135 (2) Å0.31 × 0.06 × 0.0025 mm
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Data collection top
STOE IPDS 2
diffractometer
2428 independent reflections
Absorption correction: numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
1634 reflections with I > 3σ(I)
Tmin = 0.064, Tmax = 0.807Rint = 0.077
9508 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.04678 parameters
wR(F2) = 0.050Δρmax = 3.04 e Å3
S = 2.37Δρmin = 2.62 e Å3
2428 reflections
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Gd0.2519 (4)0.250.76613 (5)0.0129 (3)
Au0.7492 (4)0.250.5006 (3)0.0197 (3)0.973 (3)
As10.2590 (10)0.250.31231 (13)0.0137 (6)
As20.7511 (12)0.250.9981 (6)0.0188 (7)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Gd0.0189 (7)0.0075 (5)0.0122 (2)00.0056 (8)0
Au0.0250 (6)0.0154 (5)0.0186 (2)00.0049 (8)0
As10.0165 (13)0.0090 (12)0.0157 (5)00.0073 (13)0
As20.0248 (14)0.0225 (13)0.0090 (6)00.0028 (17)0
Bond lengths (Å) top
AverageMinimumMaximum
Gd—Aui3.347 (4)3.342 (4)3.352 (4)
Gd—Au3.335 (4)3.310 (4)3.359 (4)
Gd—Auii3.381 (4)3.366 (4)3.395 (4)
Gd—Auiii3.381 (4)3.366 (4)3.395 (4)
Gd—As1iv2.973 (4)2.970 (4)2.977 (4)
Gd—As1v2.973 (4)2.970 (4)2.977 (4)
Gd—As1ii2.915 (4)2.908 (4)2.922 (4)
Gd—As1iii2.915 (4)2.908 (4)2.922 (4)
Gd—As2i3.074 (8)3.003 (9)3.148 (9)
Gd—As23.071 (8)3.038 (9)3.104 (9)
Gd—As2vi3.140 (8)3.112 (8)3.174 (8)
Gd—As2vii3.140 (8)3.112 (8)3.174 (8)
Au—Auii2.8304 (19)2.8244 (19)2.8364 (19)
Au—Auiii2.8304 (19)2.8244 (19)2.8364 (19)
Au—Auviii2.8391 (19)2.8337 (19)2.8444 (19)
Au—Auix2.8391 (19)2.8337 (19)2.8444 (19)
Au—As12.720 (6)2.716 (6)2.725 (6)
Au—As1x2.777 (6)2.750 (6)2.804 (6)
Au—As1ii2.779 (5)2.763 (5)2.794 (5)
Au—As1iii2.779 (5)2.763 (5)2.794 (5)
As1—As2xi3.769 (10)3.686 (11)3.856 (11)
As1—As2xii3.734 (10)3.593 (11)3.881 (11)
As2—As2vi2.848 (5)2.641 (5)3.058 (6)
As2—As2vii2.848 (5)2.641 (5)3.058 (6)
As2—As2xiii2.831 (5)2.632 (5)3.044 (6)
As2—As2xiv2.831 (5)2.632 (5)3.044 (6)
Symmetry codes: (i) x11, x2, x3, x4; (ii) x1+1, x2, x3+1, x4; (iii) x1+1, x2+1, x3+1, x4; (iv) x1, x2, x3+1, x4; (v) x1, x2+1, x3+1, x4; (vi) x1+1, x2, x3+2, x4; (vii) x1+1, x2+1, x3+2, x4; (viii) x1+2, x2, x3+1, x4; (ix) x1+2, x2+1, x3+1, x4; (x) x1+1, x2, x3, x4; (xi) x11, x2, x31, x4; (xii) x1, x2, x31, x4; (xiii) x1+2, x2, x3+2, x4; (xiv) x1+2, x2+1, x3+2, x4.
(III) top
Crystal data top
As2Au0.966TbF(000) = 415
Mr = 499.0Dx = 10.166 Mg m3
Monoclinic, P21/m(α0γ)00†Mo Kα radiation, λ = 0.71073 Å
q = 0.02000a* + 0.46000c*Cell parameters from 7354 reflections
a = 3.933 (2) Åθ = 3.0–33.4°
b = 4.0891 (15) ŵ = 84.78 mm1
c = 10.1350 (14) ÅT = 293 K
β = 90.0 (3)°Platelet, black
V = 163.01 (12) Å30.13 × 0.12 × 0.01 mm
Z = 2
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Data collection top
STOE IPDS 2
diffractometer
2101 independent reflections
Radiation source: sealed X-ray tube, 12 x 0.4 mm long-fine focus1092 reflections with I > 3σ(I)
Plane graphite monochromatorRint = 0.059
Detector resolution: 6.67 pixels mm-1θmax = 33.4°, θmin = 3.0°
ω scansh = 56
Absorption correction: numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
k = 56
Tmin = 0.066, Tmax = 0.892l = 1616
9845 measured reflections
Refinement top
Refinement on FWeighting scheme based on measured s.u.'s w = 1/(σ2(F) + 0.0001F2)
R[F2 > 2σ(F2)] = 0.056(Δ/σ)max = 0.034
wR(F2) = 0.066Δρmax = 3.84 e Å3
S = 2.96Δρmin = 3.65 e Å3
2101 reflectionsExtinction correction: B-C type 1 Lorentzian isotropic (Becker & Coppens, 1974)
78 parametersExtinction coefficient: 0.26 (3)
Crystal data top
As2Au0.966Tbβ = 90.0 (3)°
Mr = 499.0V = 163.01 (12) Å3
Monoclinic, P21/m(α0γ)00†Z = 2
q = 0.02000a* + 0.46000c*Mo Kα radiation
a = 3.933 (2) ŵ = 84.78 mm1
b = 4.0891 (15) ÅT = 293 K
c = 10.1350 (14) Å0.13 × 0.12 × 0.01 mm
† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Data collection top
STOE IPDS 2
diffractometer
2101 independent reflections
Absorption correction: numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
1092 reflections with I > 3σ(I)
Tmin = 0.066, Tmax = 0.892Rint = 0.059
9845 measured reflections
Refinement top
R[F2 > 2σ(F2)] = 0.05678 parameters
wR(F2) = 0.066Δρmax = 3.84 e Å3
S = 2.96Δρmin = 3.65 e Å3
2101 reflections
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/UeqOcc. (<1)
Au10.7484 (10)0.250.50072 (17)0.0259 (3)0.968 (4)
As10.2667 (16)0.250.31004 (18)0.0174 (6)
As20.751 (3)0.250.9982 (4)0.0246 (8)
Tb10.2494 (8)0.250.76696 (6)0.0179 (3)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au10.0256 (6)0.0250 (6)0.0271 (3)00.001 (2)0
As10.0138 (13)0.0155 (11)0.0229 (5)00.0045 (19)0
As20.0315 (18)0.0253 (15)0.0170 (5)00.002 (4)0
Tb10.0173 (6)0.0167 (6)0.0198 (2)00.0004 (19)0
Bond lengths (Å) top
AverageMinimumMaximum
Au1—Au1i2.829 (4)2.826 (4)2.831 (4)
Au1—Au1ii2.829 (4)2.826 (4)2.831 (4)
Au1—Au1iii2.845 (4)2.843 (4)2.848 (4)
Au1—Au1iv2.845 (4)2.843 (4)2.848 (4)
Au1—As12.707 (8)2.684 (8)2.729 (8)
Au1—As1v2.809 (8)2.779 (8)2.839 (8)
Au1—As1i2.804 (5)2.778 (5)2.830 (5)
Au1—As1ii2.804 (5)2.778 (5)2.830 (5)
Au1—Tb13.337 (5)3.319 (5)3.354 (5)
Au1—Tb1v3.341 (5)3.333 (5)3.349 (5)
Au1—Tb1i3.397 (4)3.385 (4)3.409 (4)
Au1—Tb1ii3.397 (4)3.385 (4)3.409 (4)
As1—As2vi3.757 (11)3.666 (12)3.848 (12)
As1—As2vii3.690 (11)3.648 (12)3.735 (12)
As1—Tb1viii2.985 (6)2.974 (6)2.996 (6)
As1—Tb1ix2.985 (6)2.974 (6)2.996 (6)
As1—Tb1i2.901 (6)2.897 (6)2.904 (6)
As1—Tb1ii2.901 (6)2.897 (6)2.904 (6)
As2—As2x2.844 (12)2.725 (11)2.962 (13)
As2—As2xi2.844 (12)2.725 (11)2.962 (13)
As2—As2xii2.833 (12)2.717 (11)2.954 (12)
As2—As2xiii2.833 (12)2.717 (11)2.954 (12)
As2—Tb13.063 (10)3.026 (11)3.100 (11)
As2—Tb1v3.056 (10)3.029 (11)3.085 (11)
As2—Tb1x3.139 (6)3.135 (6)3.141 (7)
As2—Tb1xi3.139 (6)3.135 (6)3.141 (7)
Symmetry codes: (i) x1+1, x2, x3+1, x4; (ii) x1+1, x2+1, x3+1, x4; (iii) x1+2, x2, x3+1, x4; (iv) x1+2, x2+1, x3+1, x4; (v) x1+1, x2, x3, x4; (vi) x11, x2, x31, x4; (vii) x1, x2, x31, x4; (viii) x1, x2, x3+1, x4; (ix) x1, x2+1, x3+1, x4; (x) x1+1, x2, x3+2, x4; (xi) x1+1, x2+1, x3+2, x4; (xii) x1+2, x2, x3+2, x4; (xiii) x1+2, x2+1, x3+2, x4.

Experimental details

(I)(II)(III)
Crystal data
Chemical formulaAs2CuGdAs2Au0.973GdAs2Au0.966Tb
Mr370.6498.7499.0
Crystal system, space groupMonoclinic, P21/m(α0γ)00†Monoclinic, P21/m(α0γ)00‡Monoclinic, P21/m(α0γ)00§
Temperature (K)293293293
Wave vectorsq = 0.03570a* + 0.47900c*q = 0.03000a* + 0.48000c*q = 0.02000a* + 0.46000c*
a, b, c (Å)3.9041 (8), 3.9015 (8), 9.908 (2)3.9570 (8), 4.060 (2), 10.135 (2)3.933 (2), 4.0891 (15), 10.1350 (14)
β (°)90, 90.05 (3), 9090, 90.01 (3), 9090, 90.0 (3), 90
V3)150.92 (5)162.82 (9)163.01 (12)
Z222
Radiation typeMo KαMo KαMo Kα
µ (mm1)50.2583.8484.78
Crystal size (mm)0.26 × 0.06 × 0.020.31 × 0.06 × 0.00250.13 × 0.12 × 0.01
Data collection
DiffractometerSTOE IPDS 2
diffractometer
STOE IPDS 2
diffractometer
STOE IPDS 2
diffractometer
Absorption correctionNumerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
Numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
Numerical
(Jana2000; Petricek, Dusek & Palatinus, 2000)
Tmin, Tmax0.128, 0.4600.064, 0.8070.066, 0.892
No. of measured, independent and
observed [I > 3σ(I)] reflections
10072, 2043, 751 9508, 2428, 1634 9845, 2101, 1092
Rint0.0940.0770.059
(sin θ/λ)max1)0.7900.7820.775
Refinement
R[F2 > 2σ(F2)], wR(F2), S 0.039, 0.039, 1.24 0.046, 0.050, 2.37 0.056, 0.066, 2.96
No. of reflections204324282101
No. of parameters777878
No. of restraints???
Δρmax, Δρmin (e Å3)1.64, 1.973.04, 2.623.84, 3.65

† Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

‡ Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

§ Symmetry operations: (1) x1, x2, x3, x4; (2) −x1, 1/2+x2, −x3, −x4; (3) −x1, −x2, −x3, −x4; (4) x1, 1/2−x2, x3, x4.

Computer programs: X-AREA, STOE, 2006, X-AREA, STOE, 2002, SHELXS97 (Sheldrick, 1997), Jana2000 (Petricek, Dusek & Palatinus, 2000), DIAMOND-Visuelles Informationssystem für Kristallstrukturen

(G. Bergerhoff, Bonn, 1999).

Selected bond lengths (Å) for (I) top
AverageMinimumMaximum
Gd—Cui3.253 (6)3.239 (6)3.268 (6)
Gd—Cu3.236 (6)3.213 (6)3.260 (6)
Gd—Cuii3.242 (5)3.228 (5)3.255 (5)
Gd—Cuiii3.242 (5)3.228 (5)3.255 (5)
Gd—As1iv2.948 (3)2.945 (3)2.951 (3)
Gd—As1v2.948 (3)2.945 (3)2.951 (3)
Gd—As1ii2.938 (3)2.934 (3)2.943 (3)
Gd—As1iii2.938 (3)2.934 (3)2.943 (3)
Gd—As2i3.082 (5)3.017 (5)3.145 (5)
Gd—As23.042 (5)3.026 (5)3.059 (5)
Gd—As2vi3.070 (4)3.037 (4)3.107 (4)
Gd—As2vii3.070 (4)3.037 (4)3.107 (4)
Cu—Cuii2.726 (5)2.724 (5)2.728 (5)
Cu—Cuiii2.726 (5)2.724 (5)2.728 (5)
Cu—Cuviii2.794 (5)2.787 (5)2.801 (5)
Cu—Cuix2.794 (5)2.787 (5)2.801 (5)
Cu—As12.471 (7)2.464 (7)2.478 (7)
Cu—As1x2.535 (7)2.521 (7)2.548 (7)
Cu—As1ii2.503 (5)2.492 (5)2.515 (5)
Cu—As1iii2.503 (5)2.492 (5)2.515 (5)
As2—As2vi2.705 (5)2.568 (4)2.850 (5)
As2—As2vii2.705 (5)2.568 (4)2.850 (5)
As2—As2xi2.820 (5)2.675 (5)2.967 (5)
As2—As2xii2.820 (5)2.675 (5)2.967 (5)
Symmetry codes: (i) x11, x2, x3, x4; (ii) x1+1, x2, x3+1, x4; (iii) x1+1, x2+1, x3+1, x4; (iv) x1, x2, x3+1, x4; (v) x1, x2+1, x3+1, x4; (vi) x1+1, x2, x3+2, x4; (vii) x1+1, x2+1, x3+2, x4; (viii) x1+2, x2, x3+1, x4; (ix) x1+2, x2+1, x3+1, x4; (x) x1+1, x2, x3, x4; (xi) x1+2, x2, x3+2, x4; (xii) x1+2, x2+1, x3+2, x4.
Selected bond lengths (Å) for (II) top
AverageMinimumMaximum
Gd—Aui3.347 (4)3.342 (4)3.352 (4)
Gd—Au3.335 (4)3.310 (4)3.359 (4)
Gd—Auii3.381 (4)3.366 (4)3.395 (4)
Gd—Auiii3.381 (4)3.366 (4)3.395 (4)
Gd—As1iv2.973 (4)2.970 (4)2.977 (4)
Gd—As1v2.973 (4)2.970 (4)2.977 (4)
Gd—As1ii2.915 (4)2.908 (4)2.922 (4)
Gd—As1iii2.915 (4)2.908 (4)2.922 (4)
Gd—As2i3.074 (8)3.003 (9)3.148 (9)
Gd—As23.071 (8)3.038 (9)3.104 (9)
Gd—As2vi3.140 (8)3.112 (8)3.174 (8)
Gd—As2vii3.140 (8)3.112 (8)3.174 (8)
Au—Auii2.8304 (19)2.8244 (19)2.8364 (19)
Au—Auiii2.8304 (19)2.8244 (19)2.8364 (19)
Au—Auviii2.8391 (19)2.8337 (19)2.8444 (19)
Au—Auix2.8391 (19)2.8337 (19)2.8444 (19)
Au—As12.720 (6)2.716 (6)2.725 (6)
Au—As1x2.777 (6)2.750 (6)2.804 (6)
Au—As1ii2.779 (5)2.763 (5)2.794 (5)
Au—As1iii2.779 (5)2.763 (5)2.794 (5)
As1—As2xi3.769 (10)3.686 (11)3.856 (11)
As1—As2xii3.734 (10)3.593 (11)3.881 (11)
As2—As2vi2.848 (5)2.641 (5)3.058 (6)
As2—As2vii2.848 (5)2.641 (5)3.058 (6)
As2—As2xiii2.831 (5)2.632 (5)3.044 (6)
As2—As2xiv2.831 (5)2.632 (5)3.044 (6)
Symmetry codes: (i) x11, x2, x3, x4; (ii) x1+1, x2, x3+1, x4; (iii) x1+1, x2+1, x3+1, x4; (iv) x1, x2, x3+1, x4; (v) x1, x2+1, x3+1, x4; (vi) x1+1, x2, x3+2, x4; (vii) x1+1, x2+1, x3+2, x4; (viii) x1+2, x2, x3+1, x4; (ix) x1+2, x2+1, x3+1, x4; (x) x1+1, x2, x3, x4; (xi) x11, x2, x31, x4; (xii) x1, x2, x31, x4; (xiii) x1+2, x2, x3+2, x4; (xiv) x1+2, x2+1, x3+2, x4.
Selected bond lengths (Å) for (III) top
AverageMinimumMaximum
Au1—Au1i2.829 (4)2.826 (4)2.831 (4)
Au1—Au1ii2.829 (4)2.826 (4)2.831 (4)
Au1—Au1iii2.845 (4)2.843 (4)2.848 (4)
Au1—Au1iv2.845 (4)2.843 (4)2.848 (4)
Au1—As12.707 (8)2.684 (8)2.729 (8)
Au1—As1v2.809 (8)2.779 (8)2.839 (8)
Au1—As1i2.804 (5)2.778 (5)2.830 (5)
Au1—As1ii2.804 (5)2.778 (5)2.830 (5)
Au1—Tb13.337 (5)3.319 (5)3.354 (5)
Au1—Tb1v3.341 (5)3.333 (5)3.349 (5)
Au1—Tb1i3.397 (4)3.385 (4)3.409 (4)
Au1—Tb1ii3.397 (4)3.385 (4)3.409 (4)
As1—As2vi3.757 (11)3.666 (12)3.848 (12)
As1—As2vii3.690 (11)3.648 (12)3.735 (12)
As1—Tb1viii2.985 (6)2.974 (6)2.996 (6)
As1—Tb1ix2.985 (6)2.974 (6)2.996 (6)
As1—Tb1i2.901 (6)2.897 (6)2.904 (6)
As1—Tb1ii2.901 (6)2.897 (6)2.904 (6)
As2—As2x2.844 (12)2.725 (11)2.962 (13)
As2—As2xi2.844 (12)2.725 (11)2.962 (13)
As2—As2xii2.833 (12)2.717 (11)2.954 (12)
As2—As2xiii2.833 (12)2.717 (11)2.954 (12)
As2—Tb13.063 (10)3.026 (11)3.100 (11)
As2—Tb1v3.056 (10)3.029 (11)3.085 (11)
As2—Tb1x3.139 (6)3.135 (6)3.141 (7)
As2—Tb1xi3.139 (6)3.135 (6)3.141 (7)
Symmetry codes: (i) x1+1, x2, x3+1, x4; (ii) x1+1, x2+1, x3+1, x4; (iii) x1+2, x2, x3+1, x4; (iv) x1+2, x2+1, x3+1, x4; (v) x1+1, x2, x3, x4; (vi) x11, x2, x31, x4; (vii) x1, x2, x31, x4; (viii) x1, x2, x3+1, x4; (ix) x1, x2+1, x3+1, x4; (x) x1+1, x2, x3+2, x4; (xi) x1+1, x2+1, x3+2, x4; (xii) x1+2, x2, x3+2, x4; (xiii) x1+2, x2+1, x3+2, x4.
 

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