Crystallography Open Database

Information card for entry 4331672

Preview

Coordinates	4331672.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba S5 Sn2
Calculated formula	Ba S5 Sn2
Title of publication	Syntheses, Characterization, and Optical Properties of Ternary Ba-Sn-S System Compounds: Acentric Ba7Sn5S15, Centric BaSn2S5, and Centric Ba6Sn7S20
Authors of publication	Zhong-Zhen Luo; Chen-Sheng Lin; Wen-Dan Cheng; Hao Zhang; Wei-Long Zhang; Zhang-Zhen He
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	273 - 279
a	6.674 ± 0.003 Å
b	10.607 ± 0.005 Å
c	11.394 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	806.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.1355
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
179419 (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 4/33/16.	4331672.cif
97792	2014-01-29	cif/ Adding structures of 4331672 via cif-deposit CGI script.	4331672.cif