Crystallography Open Database

Information card for entry 4331673

Preview

Coordinates	4331673.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6 S20 Sn7
Calculated formula	Ba6 S20 Sn7
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	24.519 ± 0.009 Å
b	6.355 ± 0.002 Å
c	23.109 ± 0.008 Å
α	90°
β	90.101 ± 0.005°
γ	90°
Cell volume	3601 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0188
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0357
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4331673.cif
97793	2014-01-29	cif/ Adding structures of 4331673 via cif-deposit CGI script.	4331673.cif