Crystallography Open Database

Information card for entry 4335085

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Coordinates	4335085.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ag2 Nb3 S6 Te
Calculated formula	Ag1.98 Nb3 S6 Te
Title of publication	Lattice-Matched Transition Metal Disulfide Intergrowths: The Metallic Conductors Ag2Te(MS2)3 (M = V, Nb)
Authors of publication	Sandy L. Nguyen; Christos D. Malliakas; Melanie C. Francisco; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6520 - 6532
a	5.7195 ± 0.0008 Å
b	5.7195 ± 0.0008 Å
c	8.223 ± 0.0016 Å
α	90°
β	90°
γ	120°
Cell volume	232.96 ± 0.06 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	189
Hermann-Mauguin space group symbol	P -6 2 m
Hall space group symbol	P -6 -2
Residual factor for all reflections	0.0323
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0868
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4335085.cif
100989	2014-02-10	cif/ Adding structures of 4335085 via cif-deposit CGI script.	4335085.cif