Crystallography Open Database

Information card for entry 4336252

Preview

Coordinates	4336252.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Bi Cs3 S8
Calculated formula	As2 Bi Cs3 S8
Title of publication	Crystalline and Glassy Phases in the Cs/Bi/As/S System
Authors of publication	Tarun K. Bera; Ratnasabapathy G. Iyer; Christos D. Malliakas; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11370 - 11376
a	9.665 ± 0.003 Å
b	7.152 ± 0.002 Å
c	25.365 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	1753.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0696
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179465 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/62.	4336252.cif
102229	2014-02-19	cif/ Adding structures of 4336252 via cif-deposit CGI script.	4336252.cif