Download citation
Download citation
link to html
Petzite, Ag3AuTe2, crystallizes in the space group I4132, which is a Sohncke type of space group where chiral crystal structures can occur. The structure refinement of petzite reported long ago [Frueh (1959). Am. Mineral. 44, 693–701] did not provide any information about the absolute structure. A new single-crystal X-ray diffraction refinement has now been performed on a sample from Lake View Mine, Golden Mile, Kalgoorlie, Australia, which has resulted in a reliable absolute structure [a Flack parameter of 0.05 (3)], although this corresponds to the opposite enantiomorph reported previously. The minimum Te–Te distance is 3.767 (3) Å, slightly shorter than the van der Waals bonding distance, which suggests a weak interaction between the two chalcogens. XANES spectra near the Au and Te LIII edges suggest that the chemical-bonding character of Au in petzite is more metallic than in other gold minerals.

Supporting information

cif

Crystallographic Information File (CIF) https://doi.org/10.1107/S2052520619002166/je5009sup1.cif
Contains datablocks global, I

hkl

Structure factor file (CIF format) https://doi.org/10.1107/S2052520619002166/je5009Isup2.hkl
Contains datablock I

CCDC reference: 1896511

Computing details top

Program(s) used to solve structure: Jana2006; program(s) used to refine structure: Jana2006; molecular graphics: VESTA; software used to prepare material for publication: LibreOffice Writer.

(I) top
Crystal data top
Ag3AuTe2Dx = 9.118 Mg m3
Mr = 775.8Mo Kα radiation, λ = 0.71069 Å
Cubic, I4132Cell parameters from 2866 reflections
Hall symbol: I 4bd 2c 3θ = 4.8–27.4°
a = 10.417 (8) ŵ = 46.08 mm1
V = 1130.3 (15) Å3T = 297 K
Z = 8Cube, grey
F(000) = 25920.07 × 0.05 × 0.03 mm
Data collection top
Rigaku R-AXIS RAPID
diffractometer
225 independent reflections
Radiation source: X-ray tube176 reflections with I > 3σ(I)
Graphite monochromatorRint = 0.097
Detector resolution: 10.000 pixels mm-1θmax = 27.4°, θmin = 4.8°
ω scansh = 1311
Absorption correction: integration
Busing, W.R. and Levy, H.A. 1957. High-Speed Computation of the Absorption Correction for Single Crystal Diffraction Measurements. Acta Cryst. 10, 180-182.
k = 1313
Tmin = 0.085, Tmax = 0.251l = 1312
2866 measured reflections
Refinement top
Refinement on F20 constraints
R[F2 > 2σ(F2)] = 0.030Weighting scheme based on measured s.u.'s w = 1/(σ2(I) + 0.0004I2)
wR(F2) = 0.052(Δ/σ)max = 0.005
S = 1.04Δρmax = 1.74 e Å3
225 reflectionsΔρmin = 1.03 e Å3
12 parametersAbsolute structure: 71 of Friedel pairs used in the refinement
0 restraintsAbsolute structure parameter: 0.05 (3)
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å2) top
xyzUiso*/Ueq
Au0.8750.8750.8750.0407 (2)
Te0.22938 (8)0.22938 (8)0.22938 (8)0.0286 (2)
Ag0.13818 (15)00.250.0392 (6)
Atomic displacement parameters (Å2) top
U11U22U33U12U13U23
Au0.0407 (4)0.0407 (4)0.0407 (4)0.0056 (4)0.0056 (4)0.0056 (4)
Te0.0286 (4)0.0286 (4)0.0286 (4)0.0007 (4)0.0007 (4)0.0007 (4)
Ag0.0464 (10)0.0382 (9)0.0329 (10)000.0052 (7)
Geometric parameters (Å, º) top
Au—Tei2.6273 (13)Te—Agx2.9825 (19)
Au—Teii2.6273 (13)Te—Agxi2.9825 (19)
Au—Agiii3.0784 (18)Te—Agxii2.9140 (18)
Au—Agiv3.0784 (18)Te—Agxiii2.9140 (18)
Au—Agv3.0784 (18)Te—Agxiv2.9140 (18)
Au—Agvi3.0784 (18)Ag—Agxv3.0814 (16)
Au—Agvii3.0784 (18)Ag—Agxvi3.0814 (16)
Au—Agviii3.0784 (18)Ag—Agxiv3.3053 (17)
Te—Agix2.9825 (19)Ag—Agxvii3.3053 (17)
Tei—Au—Teii180Agxii—Te—Agxiv118.95 (4)
Tei—Au—Agiii62.44 (3)Agxiii—Te—Agxiv118.95 (4)
Tei—Au—Agiv62.44 (3)Auxix—Ag—Auxx73.48 (4)
Tei—Au—Agv62.44 (3)Auxix—Ag—Teix51.35 (2)
Tei—Au—Agvi117.56 (3)Auxix—Ag—Texxi96.55 (4)
Tei—Au—Agvii117.56 (3)Auxix—Ag—Texii140.40 (3)
Tei—Au—Agviii117.56 (3)Auxix—Ag—Texxii98.00 (3)
Teii—Au—Agiii117.56 (3)Auxix—Ag—Agxv83.95 (4)
Teii—Au—Agiv117.56 (3)Auxix—Ag—Agxvi59.97 (3)
Teii—Au—Agv117.56 (3)Auxix—Ag—Agxiv80.30 (2)
Teii—Au—Agvi62.44 (3)Auxix—Ag—Agxvii150.04 (4)
Teii—Au—Agvii62.44 (3)Auxx—Ag—Teix96.55 (4)
Teii—Au—Agviii62.44 (3)Auxx—Ag—Texxi51.35 (2)
Agiii—Au—Agiv100.31 (3)Auxx—Ag—Texii98.00 (3)
Agiii—Au—Agv100.31 (3)Auxx—Ag—Texxii140.40 (3)
Agiii—Au—Agvi60.066 (13)Auxx—Ag—Agxv59.97 (3)
Agiii—Au—Agvii106.52 (3)Auxx—Ag—Agxvi83.95 (4)
Agiii—Au—Agviii148.96 (2)Auxx—Ag—Agxiv150.04 (4)
Agiv—Au—Agv100.31 (3)Auxx—Ag—Agxvii80.30 (2)
Agiv—Au—Agvi106.52 (3)Teix—Ag—Texxi142.85 (6)
Agiv—Au—Agvii148.96 (2)Teix—Ag—Texii92.99 (3)
Agiv—Au—Agviii60.066 (13)Teix—Ag—Texxii108.03 (3)
Agv—Au—Agvi148.96 (2)Teix—Ag—Agxv57.41 (3)
Agv—Au—Agvii60.066 (13)Teix—Ag—Agxvi107.32 (4)
Agv—Au—Agviii106.52 (3)Teix—Ag—Agxiv54.93 (3)
Agvi—Au—Agvii100.31 (3)Teix—Ag—Agxvii148.43 (3)
Agvi—Au—Agviii100.31 (3)Texxi—Ag—Texii108.03 (3)
Agvii—Au—Agviii100.31 (3)Texxi—Ag—Texxii92.99 (3)
Auxviii—Te—Agix66.21 (3)Texxi—Ag—Agxv107.32 (4)
Auxviii—Te—Agx66.21 (3)Texxi—Ag—Agxvi57.41 (3)
Auxviii—Te—Agxi66.21 (3)Texxi—Ag—Agxiv148.43 (3)
Auxviii—Te—Agxii95.92 (4)Texxi—Ag—Agxvii54.93 (3)
Auxviii—Te—Agxiii95.92 (4)Texii—Ag—Texxii110.83 (6)
Auxviii—Te—Agxiv95.92 (4)Texii—Ag—Agxv59.59 (3)
Agix—Te—Agx104.83 (4)Texii—Ag—Agxvi159.29 (4)
Agix—Te—Agxi104.83 (4)Texii—Ag—Agxiv92.97 (4)
Agix—Te—Agxii63.00 (3)Texii—Ag—Agxvii56.89 (3)
Agix—Te—Agxiii161.90 (5)Texxii—Ag—Agxv159.29 (4)
Agix—Te—Agxiv68.18 (3)Texxii—Ag—Agxvi59.59 (3)
Agx—Te—Agxi104.83 (4)Texxii—Ag—Agxiv56.89 (3)
Agx—Te—Agxii161.90 (5)Texxii—Ag—Agxvii92.97 (4)
Agx—Te—Agxiii68.18 (3)Agxv—Ag—Agxvi135.58 (6)
Agx—Te—Agxiv63.00 (3)Agxv—Ag—Agxiv103.58 (4)
Agxi—Te—Agxii68.18 (3)Agxv—Ag—Agxvii95.42 (4)
Agxi—Te—Agxiii63.00 (3)Agxvi—Ag—Agxiv95.42 (4)
Agxi—Te—Agxiv161.90 (5)Agxvi—Ag—Agxvii103.58 (4)
Agxii—Te—Agxiii118.95 (4)Agxiv—Ag—Agxvii128.37 (5)
Symmetry codes: (i) x+1/2, y+1/2, z+1/2; (ii) y+5/4, x+5/4, z+5/4; (iii) x+1/2, y+1, z+1/2; (iv) z+1/2, x+1/2, y+1; (v) y+1, z+1/2, x+1/2; (vi) y+3/4, x+5/4, z+5/4; (vii) x+5/4, z+3/4, y+3/4; (viii) z+3/4, y+3/4, x+5/4; (ix) x, y+1/2, z; (x) z, x, y+1/2; (xi) y+1/2, z, x; (xii) y+1/4, x+1/4, z+1/4; (xiii) x+1/4, z1/4, y+1/4; (xiv) z1/4, y+1/4, x+1/4; (xv) y1/4, x+1/4, z+1/4; (xvi) y1/4, x1/4, z+3/4; (xvii) z1/4, y1/4, x+1/4; (xviii) x1/2, y1/2, z1/2; (xix) x+1/2, y+1, z1/2; (xx) x+1/2, y1, z+1; (xxi) x, y1/2, z+1/2; (xxii) y+1/4, x1/4, z+1/4.
 

Follow Acta Cryst. B
Sign up for e-alerts
Follow Acta Cryst. on Twitter
Follow us on facebook
Sign up for RSS feeds