Crystallography Open Database

Information card for entry 4331670

Preview

Coordinates	4331670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba7 S15 Sn5
Calculated formula	Ba7 S15 Sn5
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	25.1234 ± 0.0004 Å
b	25.1234 ± 0.0004 Å
c	8.412 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	4598.19 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	185
Hermann-Mauguin space group symbol	P 63 c m
Hall space group symbol	P 6c -2
Residual factor for all reflections	0.0357
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0904
Weighted residual factors for all reflections included in the refinement	0.0912
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4331670.cif
97790	2014-01-29	cif/ Adding structures of 4331670 via cif-deposit CGI script.	4331670.cif