Crystallography Open Database

Information card for entry 2100445

Preview

Coordinates	2100445.cif
Original IUCr paper	HTML

Structure parameters

Formula	Ag13.034 As1.179 Cu2.966 S11 Sb0.821
Calculated formula	Ag13.0404 As1.1792 Cu2.9656 S11.0002 Sb0.8208
Title of publication	Temperature dependence of the silver distribution in the crystal structure of natural pearceite, (Ag,Cu)~16~(As,Sb)~2~S~11~
Authors of publication	Bindi, Luca; Evain, Michel; Menchetti, Silvio
Journal of publication	Acta Crystallographica Section B
Year of publication	2006
Journal volume	62
Journal issue	2
Pages of publication	212 - 219
a	7.3721 ± 0.0006 Å
b	7.3721 ± 0.0006 Å
c	11.8104 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	555.88 ± 0.09 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1269
Weighted residual factors for all reflections included in the refinement	0.1332
Goodness-of-fit parameter for all reflections included in the refinement	2.19
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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