Crystallography Open Database

Information card for entry 4336251

Preview

Coordinates	4336251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As4 Bi2 Cs6 S16
Calculated formula	As4 Bi2.007 Cs6 S16
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	26.9011 ± 0.0008 Å
b	7.0929 ± 0.0001 Å
c	19.2003 ± 0.0005 Å
α	90°
β	110.89 ± 0.002°
γ	90°
Cell volume	3422.73 ± 0.15 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.0855
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71069 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.	4336251.cif
102228	2014-02-19	cif/ Adding structures of 4336251 via cif-deposit CGI script.	4336251.cif