Crystallography Open Database

Information card for entry 7033349

Preview

Coordinates	7033349.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba4 Ga4 Se12 Sn
Calculated formula	Ba4 Ga4 Se12 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	13.6066 ± 0.0019 Å
b	13.6066 ± 0.0019 Å
c	6.5095 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1205.2 ± 0.3 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0465
Weighted residual factors for significantly intense reflections	0.1049
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	7033349.cif
133388	2015-03-06	cif/ Updating files of 7033349, 7033350 Original log message: Adding full bibliography for 7033349--7033350.cif.	7033349.cif
128170	2014-12-06	cif/ Adding structures of 7033349, 7033350 via cif-deposit CGI script.	7033349.cif