Crystallography Open Database

Information card for entry 7033350

Preview

Coordinates	7033350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba6 Ga2 Se11 Sn
Calculated formula	Ba6 Ga2 Se11 Sn
Title of publication	Syntheses, structures, and optical properties of Ba4Ga4SnSe12 and Ba6Ga2SnSe11.
Authors of publication	Yin, Wenlong; Lin, Zuohong; Kang, Lei; Kang, Bin; Deng, Jianguo; Lin, Zheshuai; Yao, Jiyong; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	5
Pages of publication	2259 - 2266
a	18.715 ± 0.004 Å
b	7.1091 ± 0.0014 Å
c	19.165 ± 0.004 Å
α	90°
β	103.29 ± 0.03°
γ	90°
Cell volume	2481.6 ± 0.9 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 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	0.0793
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.099
Weighted residual factors for all reflections included in the refinement	0.1104
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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
180039 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/33.	7033350.cif
133388	2015-03-06	cif/ Updating files of 7033349, 7033350 Original log message: Adding full bibliography for 7033349--7033350.cif.	7033350.cif
128170	2014-12-06	cif/ Adding structures of 7033349, 7033350 via cif-deposit CGI script.	7033350.cif