Structure and stability of γ1-AuZn2.1: a γ-brass-related complex phase in the Au–Zn System

Koley, B.; Thimmaiah, S.; Lidin, S.; Jana, P.P.

doi:10.1107/S205252062001327X

Structure and stability of γ₁-AuZn_2.1: a γ-brass-related complex phase in the Au–Zn System

B. Koley, S. Thimmaiah, S. Lidin and P. P. Jana

γ₁-AuZn_2.1 in the Au–Zn binary system has been synthesized and its structure analyzed by single-crystal X-ray diffraction. It crystallizes in the trigonal space group P31m (No. 157) with ∼227 atoms per unit cell and represents a $\surd$ 3a × $\surd$ 3a × c superstructure of rhombohedrally distorted γ-Au_5–xZn_8+y. The structure is largely tetrahedrally closed packed. The formation of γ₁-AuZn_2.1 can be understood within the framework of a Hume-Rothery stabilization mechanism with a valence electron concentration of 1.68 e/a (valence electrons per atom).

Keywords: single-crystal X-ray diffraction; Hume-Rothery stabilization; Pierce cluster; superstructure; γ-brass phase.

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Supporting information

	Crystallographic Information File (CIF) https://doi.org/10.1107/S205252062001327X/dk5097sup1.cif Contains datablocks global, I
	Structure factor file (CIF format) https://doi.org/10.1107/S205252062001327X/dk5097Isup2.hkl Contains datablock I
	Portable Document Format (PDF) file https://doi.org/10.1107/S205252062001327X/dk5097sup3.pdf Table S1 and Figs. S1 to S5.

CCDC reference: 1997815

Computing details top

Data collection: APEX3 (Bruker, 2018); cell refinement: APEX3 (Bruker, 2018); data reduction: APEX3 (Bruker, 2018); program(s) used to solve structure: JANA (Petricek et al., 2006); program(s) used to refine structure: JANA (Petricek et al., 2006); software used to prepare material for publication: JANA (Petricek et al., 2006).

(I) top

Crystal data top

Au_73.354Zn_153.532	F(000) = 10401
M_r = 24486.2	D_x = 11.441 Mg m⁻³
Trigonal, P31m	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: P 3;-2	µ = 100.66 mm⁻¹
a = 22.6685 (10) Å	T = 293 K
c = 7.9858 (3) Å	, silvery
V = 3553.8 (3) Å³	0.06 × 0.04 × 0.04 mm
Z = 1

Data collection top

Bruker D8 Quest diffractometer	5281 reflections with I > 3σ(I)
Radiation source: X-ray tube	R_int = 0.08
Graphite monochromator	θ_max = 27.1°, θ_min = 2.6°
Absorption correction: multi-scan	h = −29→29
T_min = 0.340, T_max = 0.746	k = −29→29
143035 measured reflections	l = −10→10
5477 independent reflections

Refinement top

Refinement on F²	Weighting scheme based on measured s.u.'s w = 1/(σ²(I) + 0.0004I²)
R[F > 3σ(F)] = 0.024	(Δ/σ)_max = Extinction_method
wR(F) = 0.060	Δρ_max = 2.95 e Å⁻³
S = 1.57	Δρ_min = −2.10 e Å⁻³
5477 reflections	Extinction correction: B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)
391 parameters	Extinction coefficient: 364 (17)
0 restraints	Absolute structure: 2725 of Friedel pairs used in the refinement
58 constraints

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq	Occ. (<1)
Au1	0	0	0.59772 (16)	0.0100 (3)
Au2	−0.333333	−0.666667	1.16153 (13)	0.0105 (2)
Au3	0	0	0.21613 (16)	0.0176 (4)
Au4	−0.20145 (3)	−0.20145 (3)	0.35919 (10)	0.0130 (2)
Au5	0	−0.54165 (3)	0.83007 (11)	0.0116 (2)
Au6	−0.12803 (3)	−0.33470 (2)	1.03894 (8)	0.0114 (2)
Au7	−0.25443 (3)	−0.46308 (2)	0.91467 (7)	0.01038 (19)
Au8	0	−0.43324 (3)	0.39813 (9)	0.0080 (2)
Au9	−0.11596 (2)	−0.53810 (3)	1.22832 (7)	0.01191 (19)
Au10	−0.11821 (3)	−0.33814 (3)	0.41868 (8)	0.0127 (2)
Au11	−0.33755 (3)	−0.45758 (3)	0.38807 (7)	0.0092 (2)
Au12	0	−0.20260 (3)	0.44950 (11)	0.0158 (2)
Au13	−0.33487 (3)	−0.33487 (3)	0.24345 (10)	0.0082 (2)
Au14	−0.20662 (3)	−0.54577 (2)	0.70264 (7)	0.00992 (19)
Au15	−0.33018 (3)	−0.33018 (3)	0.86730 (10)	0.0117 (2)
Au16	0	−0.33652 (3)	0.91229 (10)	0.0076 (2)
Au17	0.20852 (3)	0.09822 (3)	0.89776 (7)	0.0161 (3)	0.851 (4)
Zn17a	0.20852 (3)	0.09822 (3)	0.89776 (7)	0.0161 (3)	0.149 (4)
Au18	−0.333333	−0.666667	1.57674 (13)	0.0102 (2)
Au19	−0.11599 (6)	0	0.07513 (16)	0.0198 (5)	0.509 (5)
Zn19a	−0.11599 (6)	0	0.07513 (16)	0.0198 (5)	0.491 (5)
Au20	0.33406 (5)	0.12628 (5)	0.76878 (14)	0.0168 (4)	0.339 (4)
Zn20a	0.33406 (5)	0.12628 (5)	0.76878 (14)	0.0168 (4)	0.661 (4)
Zn1	0.11053 (8)	0	0.7323 (3)	0.0291 (8)	0.842 (6)
Au1a	0.11053 (8)	0	0.7323 (3)	0.0291 (8)	0.158 (6)
Zn2	0	−0.12748 (10)	0.7149 (3)	0.0150 (8)
Zn3	−0.12161 (7)	−0.22641 (7)	0.56564 (18)	0.0120 (6)	0.951 (4)
Au3a	−0.12161 (7)	−0.22641 (7)	0.56564 (18)	0.0120 (6)	0.049 (4)
Zn4	−0.33357 (7)	−0.59629 (8)	0.8673 (2)	0.0158 (6)
Zn5	−0.23082 (10)	−0.23082 (10)	0.7088 (3)	0.0174 (8)
Zn6	−0.34932 (10)	−0.43956 (9)	0.0594 (2)	0.0208 (8)
Zn7	−0.45390 (9)	−0.45390 (9)	0.2789 (3)	0.0182 (7)
Zn8	−0.21346 (8)	−0.66578 (7)	1.1765 (2)	0.0114 (6)
Zn9	−0.07023 (9)	−0.29136 (9)	0.7337 (2)	0.0230 (8)
Zn10	−0.07558 (9)	−0.40056 (9)	1.1885 (2)	0.0232 (8)
Zn11	−0.33628 (8)	−0.44443 (8)	0.7261 (2)	0.0112 (6)
Zn12	0	−0.42883 (10)	0.7246 (3)	0.0171 (8)
Zn13	−0.37079 (12)	−0.37079 (12)	0.5527 (3)	0.0223 (9)
Zn14	0	0.12197 (9)	0.1050 (3)	0.0137 (8)
Zn15	−0.12467 (8)	−0.42983 (8)	0.8430 (2)	0.0252 (7)
Zn16	−0.22702 (8)	−0.10362 (8)	0.23532 (19)	0.0136 (7)
Zn17	−0.24250 (8)	−0.56498 (8)	1.37461 (17)	0.0295 (7)	0.886 (4)
Au17a	−0.24250 (8)	−0.56498 (8)	1.37461 (17)	0.0295 (7)	0.114 (4)
Zn18	0	−0.32518 (10)	0.5227 (4)	0.0182 (8)
Zn19	−0.21828 (8)	−0.43150 (8)	0.2348 (2)	0.0173 (6)
Zn20	−0.23505 (8)	−0.33005 (7)	0.4331 (2)	0.0177 (6)
Zn21	−0.45124 (8)	−0.53696 (8)	0.5655 (2)	0.0155 (6)
Zn22	−0.21624 (8)	−0.54430 (8)	1.0560 (2)	0.0115 (6)
Zn23	0	−0.45208 (10)	1.0476 (3)	0.0154 (8)
Zn24	−0.29359 (14)	−0.22251 (10)	0.0787 (2)	0.0421 (11)	0.934 (6)
Zn25	−0.24125 (15)	0	0.1133 (5)	0.0547 (13)
Zn26	−0.12151 (8)	−0.45511 (8)	0.4876 (2)	0.0154 (7)
Zn27	−0.22328 (8)	−0.43799 (8)	0.5804 (2)	0.0143 (7)
Zn28	−0.12296 (7)	−0.56336 (9)	0.89904 (19)	0.0189 (8)	0.955 (4)
Au28a	−0.12296 (7)	−0.56336 (9)	0.89904 (19)	0.0189 (8)	0.039 (4)
Zn29	−0.34150 (10)	−0.55637 (9)	0.5559 (3)	0.0324 (9)
Zn30b	−0.1034 (3)	−0.0236 (3)	0.3971 (7)	0.026 (2)*	0.305 (8)
Zn30a	−0.1121 (3)	−0.0643 (3)	0.4086 (7)	0.028 (2)*	0.324 (10)
Zn30	−0.0944 (7)	−0.0944 (7)	0.422 (2)	0.038 (7)*	0.189 (13)
Zn31	0.0167 (3)	0.0167 (3)	−0.0904 (8)	0.030 (3)*	0.328 (7)

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Au1	0.0120 (4)	0.0120 (4)	0.0061 (6)	0.00602 (18)	0	0
Au2	0.0099 (2)	0.0099 (2)	0.0117 (5)	0.00494 (12)	0	0
Au3	0.0232 (4)	0.0232 (4)	0.0062 (6)	0.0116 (2)	0	0
Au4	0.0136 (3)	0.0136 (3)	0.0144 (4)	0.0088 (3)	0.0048 (2)	0.0048 (2)
Au5	0.0092 (3)	0.0091 (2)	0.0166 (4)	0.00460 (15)	0	−0.0008 (2)
Au6	0.0140 (2)	0.0117 (3)	0.0087 (3)	0.0066 (2)	−0.0004 (2)	0.00067 (18)
Au7	0.0123 (2)	0.0117 (2)	0.0086 (2)	0.00707 (19)	−0.0005 (2)	0.00136 (18)
Au8	0.0076 (3)	0.0096 (2)	0.0061 (3)	0.00380 (16)	0	−0.0011 (2)
Au9	0.0109 (2)	0.0115 (2)	0.0099 (3)	0.0030 (2)	−0.00377 (19)	−0.00074 (19)
Au10	0.0126 (2)	0.0096 (2)	0.0151 (3)	0.0049 (2)	−0.0041 (2)	−0.00127 (19)
Au11	0.0120 (2)	0.0091 (2)	0.0066 (3)	0.00538 (19)	0.00059 (19)	0.00090 (18)
Au12	0.0094 (3)	0.0142 (3)	0.0223 (4)	0.00469 (17)	0	−0.0020 (3)
Au13	0.0095 (3)	0.0095 (3)	0.0061 (4)	0.0051 (3)	0.0002 (2)	0.0002 (2)
Au14	0.0113 (2)	0.0083 (2)	0.0078 (3)	0.00317 (19)	0.00054 (19)	−0.00027 (19)
Au15	0.0120 (3)	0.0120 (3)	0.0083 (4)	0.0040 (3)	−0.0001 (2)	−0.0001 (2)
Au16	0.0073 (3)	0.0076 (2)	0.0079 (4)	0.00367 (16)	0	−0.0002 (2)
Au17	0.0119 (3)	0.0212 (3)	0.0105 (3)	0.0048 (3)	−0.0011 (2)	0.0030 (3)
Zn17a	0.0119 (3)	0.0212 (3)	0.0105 (3)	0.0048 (3)	−0.0011 (2)	0.0030 (3)
Au18	0.0093 (3)	0.0093 (3)	0.0118 (5)	0.00466 (13)	0	0
Au19	0.0231 (6)	0.0131 (6)	0.0198 (7)	0.0065 (3)	−0.0064 (4)	0
Zn19a	0.0231 (6)	0.0131 (6)	0.0198 (7)	0.0065 (3)	−0.0064 (4)	0
Au20	0.0110 (5)	0.0143 (5)	0.0242 (7)	0.0056 (4)	0.0019 (4)	−0.0040 (4)
Zn20a	0.0110 (5)	0.0143 (5)	0.0242 (7)	0.0056 (4)	0.0019 (4)	−0.0040 (4)
Zn1	0.0236 (9)	0.0135 (10)	0.0467 (16)	0.0068 (5)	−0.0102 (8)	0
Au1a	0.0236 (9)	0.0135 (10)	0.0467 (16)	0.0068 (5)	−0.0102 (8)	0
Zn2	0.0099 (10)	0.0170 (8)	0.0158 (13)	0.0049 (5)	0	−0.0011 (8)
Zn3	0.0118 (8)	0.0194 (9)	0.0066 (8)	0.0091 (6)	−0.0014 (5)	−0.0015 (6)
Au3a	0.0118 (8)	0.0194 (9)	0.0066 (8)	0.0091 (6)	−0.0014 (5)	−0.0015 (6)
Zn4	0.0134 (7)	0.0180 (8)	0.0135 (7)	0.0060 (6)	−0.0018 (6)	−0.0061 (6)
Zn5	0.0171 (9)	0.0171 (9)	0.0224 (14)	0.0119 (10)	0.0091 (8)	0.0091 (8)
Zn6	0.0394 (10)	0.0236 (9)	0.0091 (8)	0.0230 (8)	0.0005 (7)	−0.0008 (7)
Zn7	0.0114 (7)	0.0114 (7)	0.0276 (13)	0.0025 (8)	0.0004 (8)	0.0004 (8)
Zn8	0.0110 (7)	0.0106 (7)	0.0127 (10)	0.0055 (6)	−0.0031 (6)	−0.0025 (6)
Zn9	0.0272 (9)	0.0399 (10)	0.0140 (8)	0.0259 (9)	0.0070 (7)	0.0101 (7)
Zn10	0.0286 (9)	0.0398 (11)	0.0147 (8)	0.0272 (9)	0.0093 (7)	0.0134 (7)
Zn11	0.0124 (8)	0.0189 (8)	0.0060 (8)	0.0105 (7)	−0.0021 (5)	−0.0030 (6)
Zn12	0.0308 (13)	0.0169 (8)	0.0084 (11)	0.0154 (7)	0	−0.0013 (7)
Zn13	0.0392 (11)	0.0392 (11)	0.0075 (10)	0.0339 (13)	0.0038 (9)	0.0038 (9)
Zn14	0.0087 (10)	0.0157 (8)	0.0143 (13)	0.0044 (5)	0	−0.0013 (8)
Zn15	0.0108 (8)	0.0207 (9)	0.0363 (11)	0.0021 (7)	−0.0024 (7)	−0.0196 (8)
Zn16	0.0195 (8)	0.0200 (8)	0.0066 (8)	0.0138 (7)	−0.0005 (6)	−0.0015 (6)
Zn17	0.0188 (9)	0.0390 (10)	0.0065 (8)	−0.0037 (7)	0.0004 (5)	0.0004 (6)
Au17a	0.0188 (9)	0.0390 (10)	0.0065 (8)	−0.0037 (7)	0.0004 (5)	0.0004 (6)
Zn18	0.0123 (10)	0.0119 (8)	0.0306 (16)	0.0062 (5)	0	−0.0038 (9)
Zn19	0.0138 (8)	0.0182 (8)	0.0073 (7)	−0.0015 (7)	0.0008 (6)	−0.0037 (6)
Zn20	0.0139 (8)	0.0125 (8)	0.0254 (10)	0.0056 (6)	−0.0059 (7)	0.0007 (6)
Zn21	0.0093 (7)	0.0221 (8)	0.0099 (8)	0.0040 (6)	−0.0010 (6)	−0.0009 (6)
Zn22	0.0130 (7)	0.0172 (8)	0.0078 (8)	0.0103 (6)	0.0013 (6)	0.0033 (6)
Zn23	0.0227 (12)	0.0177 (8)	0.0073 (12)	0.0114 (6)	0	−0.0001 (8)
Zn24	0.0872 (19)	0.0144 (10)	0.0163 (11)	0.0191 (11)	−0.0017 (10)	0.0010 (8)
Zn25	0.0457 (14)	0.0155 (13)	0.093 (3)	0.0078 (7)	−0.0510 (17)	0
Zn26	0.0135 (8)	0.0140 (8)	0.0203 (10)	0.0082 (7)	0.0075 (7)	0.0068 (6)
Zn27	0.0177 (8)	0.0220 (9)	0.0090 (8)	0.0142 (7)	0.0044 (6)	0.0041 (7)
Zn28	0.0157 (9)	0.0355 (11)	0.0118 (9)	0.0176 (8)	0.0011 (6)	−0.0012 (7)
Au28a	0.0157 (9)	0.0355 (11)	0.0118 (9)	0.0176 (8)	0.0011 (6)	−0.0012 (7)
Zn29	0.0417 (11)	0.0227 (9)	0.0429 (13)	0.0237 (9)	0.0184 (9)	0.0193 (8)

Bond lengths (Å) top

Au1—Zn1	2.726 (2)	Au15—Zn24^xiv	2.734 (2)
Au1—Zn1ⁱ	2.726 (2)	Au16—Zn9	2.692 (2)
Au1—Zn1ⁱⁱ	2.7263 (16)	Au16—Zn9^v	2.692 (2)
Au1—Au1a	2.726 (2)	Au16—Zn10	2.7241 (18)
Au1—Au1aⁱ	2.726 (2)	Au16—Zn10^v	2.724 (2)
Au1—Au1aⁱⁱ	2.7263 (16)	Au16—Zn12	2.574 (2)
Au1—Zn30b	2.663 (6)	Au16—Zn15	2.6057 (15)
Au1—Zn30bⁱ	2.663 (10)	Au16—Zn15^v	2.606 (2)
Au1—Zn30bⁱⁱ	2.663 (5)	Au16—Zn23	2.834 (2)
Au1—Zn30bⁱⁱⁱ	2.663 (6)	Au16—Zn25^vii	2.691 (4)
Au1—Zn30b^iv	2.663 (10)	Au17—Zn17a	0
Au1—Zn30b^v	2.663 (5)	Au17—Au19^viii	2.7225 (16)
Au1—Zn30a	2.675 (5)	Au17—Zn19a^viii	2.7225 (16)
Au1—Zn30aⁱ	2.675 (10)	Au17—Au20	2.7847 (13)
Au1—Zn30aⁱⁱ	2.675 (6)	Au17—Zn20a	2.7847 (13)
Au1—Zn30aⁱⁱⁱ	2.675 (5)	Au17—Zn1	2.5868 (15)
Au1—Zn30a^iv	2.675 (10)	Au17—Au1a	2.5868 (15)
Au1—Zn30a^v	2.675 (6)	Au17—Zn2ⁱ	2.677 (3)
Au1—Zn30	2.560 (13)	Au17—Zn3ⁱ	2.6759 (15)
Au1—Zn30ⁱ	2.560 (18)	Au17—Au3aⁱ	2.6759 (15)
Au1—Zn30ⁱⁱ	2.560 (18)	Au17—Zn5ⁱ	2.935 (3)
Au1—Zn31^vi	2.519 (7)	Au17—Zn9ⁱ	2.788 (2)
Au1—Zn31^vii	2.519 (7)	Au17—Zn14^viii	2.6787 (17)
Au1—Zn31^viii	2.519 (7)	Au17—Zn16^xviii	2.7439 (17)
Au2—Zn4	2.8413 (19)	Au17—Zn24^xviii	2.715 (4)
Au2—Zn4^ix	2.8413 (18)	Zn17a—Au19^viii	2.7225 (16)
Au2—Zn4^x	2.841 (2)	Zn17a—Zn19a^viii	2.7225 (16)
Au2—Zn8	2.7100 (19)	Zn17a—Au20	2.7847 (13)
Au2—Zn8^ix	2.710 (2)	Zn17a—Zn20a	2.7847 (13)
Au2—Zn8^x	2.7100 (15)	Zn17a—Zn1	2.5868 (15)
Au2—Zn17	2.7753 (15)	Zn17a—Au1a	2.5868 (15)
Au2—Zn17^ix	2.775 (2)	Zn17a—Zn2ⁱ	2.677 (3)
Au2—Zn17^x	2.775 (2)	Zn17a—Zn3ⁱ	2.6759 (15)
Au2—Au17a	2.7753 (15)	Zn17a—Au3aⁱ	2.6759 (15)
Au2—Au17a^ix	2.775 (2)	Zn17a—Zn9ⁱ	2.788 (2)
Au2—Au17a^x	2.775 (2)	Zn17a—Zn14^viii	2.6787 (17)
Au2—Zn22	2.8437 (14)	Zn17a—Zn16^xviii	2.7439 (17)
Au2—Zn22^ix	2.844 (2)	Zn17a—Zn24^xviii	2.715 (4)
Au2—Zn22^x	2.844 (2)	Au18—Zn4^vi	2.8177 (19)
Au3—Au19	2.8604 (14)	Au18—Zn4^xix	2.8177 (18)
Au3—Au19ⁱ	2.8604 (14)	Au18—Zn4^xi	2.818 (2)
Au3—Au19ⁱⁱ	2.8604 (11)	Au18—Zn17	2.7226 (15)
Au3—Zn19a	2.8604 (14)	Au18—Zn17^ix	2.723 (2)
Au3—Zn19aⁱ	2.8604 (14)	Au18—Zn17^x	2.723 (2)
Au3—Zn19aⁱⁱ	2.8604 (11)	Au18—Au17a	2.7226 (15)
Au3—Zn14	2.904 (2)	Au18—Au17a^ix	2.723 (2)
Au3—Zn14ⁱ	2.9040 (17)	Au18—Au17a^x	2.723 (2)
Au3—Zn14ⁱⁱ	2.904 (2)	Au18—Zn29^vi	2.603 (2)
Au3—Zn30b	2.572 (6)	Au18—Zn29^xix	2.6032 (19)
Au3—Zn30bⁱ	2.572 (10)	Au18—Zn29^xi	2.603 (3)
Au3—Zn30bⁱⁱ	2.572 (5)	Au19—Zn19a	0
Au3—Zn30bⁱⁱⁱ	2.572 (6)	Au19—Zn2^xx	2.889 (3)
Au3—Zn30b^iv	2.572 (10)	Au19—Zn14	2.7102 (13)
Au3—Zn30b^v	2.572 (5)	Au19—Zn14ⁱ	2.710 (2)
Au3—Zn30a	2.690 (5)	Au19—Zn16	2.7526 (16)
Au3—Zn30aⁱ	2.690 (10)	Au19—Zn16^iv	2.753 (2)
Au3—Zn30aⁱⁱ	2.690 (6)	Au19—Zn25	2.856 (4)
Au3—Zn30aⁱⁱⁱ	2.690 (5)	Au19—Zn30b	2.671 (6)
Au3—Zn30a^iv	2.690 (10)	Au19—Zn30b^iv	2.671 (6)
Au3—Zn30a^v	2.690 (6)	Au19—Zn31ⁱ	2.610 (8)
Au3—Zn30	2.698 (13)	Zn19a—Zn14	2.7102 (13)
Au3—Zn30ⁱ	2.698 (18)	Zn19a—Zn14ⁱ	2.710 (2)
Au3—Zn30ⁱⁱ	2.698 (18)	Zn19a—Zn16	2.7526 (16)
Au3—Zn31	2.477 (7)	Zn19a—Zn16^iv	2.753 (2)
Au3—Zn31ⁱ	2.477 (7)	Zn19a—Zn25	2.856 (4)
Au3—Zn31ⁱⁱ	2.477 (7)	Zn19a—Zn30b	2.671 (6)
Au4—Zn3	2.7087 (19)	Zn19a—Zn30b^iv	2.671 (6)
Au4—Zn3ⁱⁱⁱ	2.7087 (19)	Zn19a—Zn31ⁱ	2.610 (8)
Au4—Au3a	2.7087 (19)	Au20—Zn20a	0
Au4—Au3aⁱⁱⁱ	2.7087 (19)	Au20—Zn3ⁱ	2.763 (2)
Au4—Zn5	2.871 (3)	Au20—Au3aⁱ	2.763 (2)
Au4—Zn14ⁱ	2.714 (2)	Au20—Zn5ⁱ	2.683 (2)
Au4—Zn16	2.742 (2)	Au20—Zn9ⁱ	2.778 (3)
Au4—Zn16ⁱⁱⁱ	2.742 (2)	Au20—Zn11ⁱ	2.752 (3)
Au4—Zn20	2.6845 (18)	Au20—Zn20ⁱ	2.763 (2)
Au4—Zn20ⁱⁱⁱ	2.6845 (18)	Au20—Zn24^xviii	2.718 (2)
Au4—Zn24	2.934 (3)	Au20—Zn27ⁱ	2.6663 (18)
Au4—Zn24ⁱⁱⁱ	2.934 (3)	Zn20a—Zn3ⁱ	2.763 (2)
Au4—Zn30a	2.762 (6)	Zn20a—Au3aⁱ	2.763 (2)
Au4—Zn30aⁱⁱⁱ	2.762 (6)	Zn20a—Zn5ⁱ	2.683 (2)
Au4—Zn30	2.478 (11)	Zn20a—Zn9ⁱ	2.778 (3)
Au5—Au15^x	2.9206 (11)	Zn20a—Zn11ⁱ	2.752 (3)
Au5—Zn6^xi	2.9313 (18)	Zn20a—Zn20ⁱ	2.763 (2)
Au5—Zn6^xii	2.931 (3)	Zn20a—Zn24^xviii	2.718 (2)
Au5—Zn11^x	2.7521 (16)	Zn20a—Zn27ⁱ	2.6663 (18)
Au5—Zn11^xiii	2.752 (3)	Zn1—Au1a	0
Au5—Zn12	2.693 (2)	Zn1—Zn2	2.7216 (16)
Au5—Zn21^x	2.820 (2)	Zn1—Zn2ⁱ	2.722 (3)
Au5—Zn21^xiii	2.8199 (18)	Zn1—Zn3ⁱ	2.842 (2)
Au5—Zn23	2.672 (2)	Zn1—Zn3^v	2.842 (3)
Au5—Zn28	2.6350 (18)	Zn1—Au3aⁱ	2.842 (2)
Au5—Zn28^v	2.6350 (15)	Zn1—Au3a^v	2.842 (3)
Au5—Au28a	2.6350 (18)	Zn1—Zn5ⁱ	2.733 (3)
Au5—Au28a^v	2.6350 (15)	Zn1—Zn30aⁱ	2.796 (6)
Au6—Au17ⁱⁱ	2.9094 (10)	Zn1—Zn30a^v	2.796 (7)
Au6—Zn17aⁱⁱ	2.9094 (10)	Zn1—Zn30ⁱ	2.506 (16)
Au6—Au20ⁱⁱ	2.8195 (15)	Zn1—Zn31^vi	2.734 (8)
Au6—Zn20aⁱⁱ	2.8195 (15)	Zn1—Zn31^viii	2.734 (9)
Au6—Zn9	2.7086 (17)	Au1a—Zn2	2.7216 (16)
Au6—Zn10	2.616 (2)	Au1a—Zn2ⁱ	2.722 (3)
Au6—Zn15	2.696 (2)	Au1a—Zn3ⁱ	2.842 (2)
Au6—Zn16^xiv	2.7153 (19)	Au1a—Zn3^v	2.842 (3)
Au6—Zn19^vi	2.6380 (15)	Au1a—Au3aⁱ	2.842 (2)
Au6—Zn24^xiv	2.748 (3)	Au1a—Au3a^v	2.842 (3)
Au6—Zn25^vii	2.6674 (14)	Au1a—Zn5ⁱ	2.733 (3)
Au7—Au20ⁱⁱ	2.8171 (12)	Au1a—Zn30aⁱ	2.796 (6)
Au7—Zn20aⁱⁱ	2.8171 (12)	Au1a—Zn30a^v	2.796 (7)
Au7—Zn4	2.6576 (15)	Au1a—Zn30ⁱ	2.506 (16)
Au7—Zn6^vi	2.719 (2)	Au1a—Zn31^vi	2.734 (8)
Au7—Zn8^ix	2.8023 (17)	Au1a—Zn31^viii	2.734 (9)
Au7—Zn11	2.583 (2)	Zn2—Zn3	2.8048 (19)
Au7—Zn15	2.708 (2)	Zn2—Zn3^v	2.805 (2)
Au7—Zn19^vi	2.6711 (17)	Zn2—Au3a	2.8048 (19)
Au7—Zn22	2.647 (2)	Zn2—Au3a^v	2.805 (2)
Au7—Zn27	2.7470 (18)	Zn2—Zn30bⁱ	2.705 (7)
Au8—Au9^xv	2.8549 (7)	Zn2—Zn30bⁱⁱⁱ	2.705 (7)
Au8—Au9^xvi	2.8549 (8)	Zn3—Au3a	0
Au8—Zn7^x	2.730 (3)	Zn3—Zn5	2.683 (3)
Au8—Zn10^xv	2.749 (2)	Zn3—Zn9	2.653 (3)
Au8—Zn10^xvi	2.749 (2)	Zn3—Zn16ⁱⁱⁱ	2.670 (2)
Au8—Zn12	2.609 (2)	Zn3—Zn20	2.6853 (18)
Au8—Zn18	2.644 (2)	Zn3—Zn30aⁱⁱⁱ	2.571 (6)
Au8—Zn21^x	2.7078 (16)	Au3a—Zn5	2.683 (3)
Au8—Zn21^xiii	2.708 (3)	Au3a—Zn9	2.653 (3)
Au8—Zn23^xv	2.831 (3)	Au3a—Zn16ⁱⁱⁱ	2.670 (2)
Au8—Zn26	2.6415 (19)	Au3a—Zn20	2.6853 (18)
Au8—Zn26^v	2.6415 (16)	Au3a—Zn30bⁱⁱⁱ	2.886 (5)
Au9—Zn7^xi	2.754 (3)	Au3a—Zn30aⁱⁱⁱ	2.571 (6)
Au9—Zn8	2.6526 (13)	Zn4—Zn4^ix	2.768 (3)
Au9—Zn10	2.794 (2)	Zn4—Zn4^x	2.768 (3)
Au9—Zn17	2.8662 (19)	Zn4—Zn8^ix	2.707 (3)
Au9—Au17a	2.8662 (19)	Zn4—Zn22	2.757 (2)
Au9—Zn21^xi	2.8187 (19)	Zn4—Zn22^ix	2.851 (2)
Au9—Zn22	2.600 (2)	Zn4—Zn28^ix	2.856 (3)
Au9—Zn23	2.7692 (15)	Zn4—Au28a^ix	2.856 (3)
Au9—Zn26^vi	2.842 (2)	Zn4—Zn29	2.683 (3)
Au9—Zn28	2.6789 (17)	Zn6—Zn7	2.833 (3)
Au9—Au28a	2.6789 (17)	Zn6—Zn8^xvii	2.800 (3)
Au10—Au12	2.9066 (7)	Zn6—Zn11^xv	2.687 (2)
Au10—Zn3	2.8274 (19)	Zn6—Zn28^xvii	2.753 (2)
Au10—Au3a	2.8274 (19)	Zn6—Au28a^xvii	2.753 (2)
Au10—Zn9	2.7355 (17)	Zn7—Zn23^xvii	2.820 (3)
Au10—Zn10^xv	2.772 (2)	Zn8—Zn17^x	2.792 (2)
Au10—Zn16ⁱⁱⁱ	2.7867 (19)	Zn8—Au17a^x	2.792 (2)
Au10—Zn18	2.6776 (14)	Zn8—Zn19^xi	2.672 (3)
Au10—Zn19	2.6418 (15)	Zn8—Zn22^x	2.807 (2)
Au10—Zn20	2.747 (2)	Zn9—Zn9^v	2.758 (2)
Au10—Zn26	2.672 (2)	Zn9—Zn15	2.875 (3)
Au10—Zn27	2.6594 (15)	Zn9—Zn18	2.680 (3)
Au11—Au13	2.9842 (10)	Zn10—Zn23	2.750 (3)
Au11—Zn6	2.6898 (17)	Zn10—Zn26^vi	2.652 (2)
Au11—Zn7	2.818 (2)	Zn11—Zn13	2.573 (4)
Au11—Zn8^xvii	2.681 (2)	Zn11—Zn21	2.715 (2)
Au11—Zn11	2.7143 (18)	Zn11—Zn27	2.750 (3)
Au11—Zn13	2.766 (3)	Zn11—Zn28^ix	2.821 (2)
Au11—Zn19	2.749 (2)	Zn11—Au28a^ix	2.821 (2)
Au11—Zn20	2.6773 (14)	Zn11—Zn29	2.828 (3)
Au11—Zn21	2.6927 (16)	Zn12—Zn18	2.849 (3)
Au11—Zn27	2.8488 (19)	Zn12—Zn21^x	2.738 (2)
Au11—Zn29	2.573 (2)	Zn12—Zn21^xiii	2.738 (3)
Au12—Zn2	2.719 (3)	Zn12—Zn23	2.633 (3)
Au12—Zn3	2.6951 (16)	Zn14—Zn16ⁱⁱ	2.814 (2)
Au12—Zn3^v	2.6951 (14)	Zn14—Zn16^iv	2.814 (3)
Au12—Au3a	2.6951 (16)	Zn14—Zn30aⁱⁱ	2.710 (7)
Au12—Au3a^v	2.6951 (14)	Zn14—Zn30a^iv	2.710 (6)
Au12—Zn9	2.9207 (18)	Zn14—Zn30ⁱⁱ	2.607 (16)
Au12—Zn9^v	2.921 (2)	Zn16—Zn24	2.653 (2)
Au12—Zn16ⁱ	2.7293 (16)	Zn16—Zn25	2.707 (3)
Au12—Zn16ⁱⁱⁱ	2.7293 (19)	Zn16—Zn30b	2.780 (5)
Au12—Zn18	2.840 (2)	Zn16—Zn30a	2.679 (6)
Au12—Zn25ⁱ	2.824 (4)	Zn17—Au17a	0
Au12—Zn30bⁱ	2.593 (10)	Zn17—Zn22	2.601 (2)
Au12—Zn30bⁱⁱⁱ	2.593 (8)	Zn17—Zn26^vi	2.7763 (19)
Au13—Au15^xv	3.0058 (11)	Zn17—Zn29^vi	2.759 (3)
Au13—Zn6	2.668 (2)	Au17a—Zn22	2.601 (2)
Au13—Zn6ⁱⁱⁱ	2.668 (2)	Au17a—Zn26^vi	2.7763 (19)
Au13—Zn7	2.7128 (16)	Au17a—Zn29^vi	2.759 (3)
Au13—Zn13	2.600 (2)	Au17a—Zn29^xi	2.883 (3)
Au13—Zn20	2.679 (2)	Zn18—Zn26	2.8684 (18)
Au13—Zn20ⁱⁱⁱ	2.679 (2)	Zn18—Zn26^v	2.868 (3)
Au13—Zn24	2.591 (2)	Zn19—Zn27	2.763 (2)
Au13—Zn24ⁱⁱⁱ	2.591 (2)	Zn20—Zn27	2.845 (3)
Au14—Au18^xv	2.9833 (7)	Zn21—Zn26^ix	2.697 (2)
Au14—Zn4	2.8332 (17)	Zn21—Zn28^ix	2.763 (2)
Au14—Zn4^x	2.7111 (16)	Zn21—Au28a^ix	2.763 (2)
Au14—Zn15	2.5946 (16)	Zn21—Zn29	2.735 (3)
Au14—Zn17^xv	2.7128 (15)	Zn22—Zn28	2.673 (3)
Au14—Au17a^xv	2.7128 (15)	Zn22—Au28a	2.673 (3)
Au14—Zn22	2.8320 (19)	Zn23—Au28a	2.9171 (19)
Au14—Zn26	2.6324 (17)	Zn23—Au28a^v	2.917 (2)
Au14—Zn27	2.826 (2)	Zn24—Zn24ⁱⁱⁱ	2.791 (5)
Au14—Zn28	2.640 (2)	Zn26—Zn27	2.630 (3)
Au14—Au28a	2.640 (2)	Zn27—Zn29	2.689 (2)
Au14—Zn29^x	2.732 (3)	Zn28—Au28a	0
Au15—Au20ⁱⁱ	2.9273 (17)	Zn30b—Zn30b^iv	0.926 (10)
Au15—Au20^v	2.9273 (17)	Zn30b—Zn30a	0.847 (11)
Au15—Zn20aⁱⁱ	2.9273 (17)	Zn30b—Zn30aⁱⁱⁱ	2.567 (12)
Au15—Zn20a^v	2.9273 (17)	Zn30b—Zn30a^iv	1.749 (9)
Au15—Zn5	2.583 (2)	Zn30b—Zn30	1.73 (2)
Au15—Zn6^vi	2.759 (2)	Zn30b—Zn30ⁱⁱ	2.533 (14)
Au15—Zn6^xiv	2.759 (2)	Zn30a—Zn30aⁱⁱⁱ	1.874 (12)
Au15—Zn11	2.764 (2)	Zn30a—Zn30a^iv	2.525 (10)
Au15—Zn11ⁱⁱⁱ	2.764 (2)	Zn30a—Zn30	0.95 (2)
Au15—Zn13	2.676 (2)	Zn31—Zn31ⁱ	0.656 (8)
Au15—Zn24^vi	2.734 (2)	Zn31—Zn31ⁱⁱ	0.656 (8)

Symmetry codes: (i) −y, x−y, z; (ii) −x+y, −x, z; (iii) y, x, z; (iv) x−y, −y, z; (v) −x, −x+y, z; (vi) x, y, z+1; (vii) −y, x−y, z+1; (viii) −x+y, −x, z+1; (ix) −y−1, x−y−1, z; (x) −x+y, −x−1, z; (xi) −x+y, −x−1, z+1; (xii) x−y, −y−1, z+1; (xiii) x−y, −y−1, z; (xiv) y, x, z+1; (xv) x, y, z−1; (xvi) −x, −x+y, z−1; (xvii) −y−1, x−y−1, z−1; (xviii) −x, −x+y, z+1; (xix) −y−1, x−y−1, z+1; (xx) −x+y, −x, z−1.

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