Crystallography Open Database

Information card for entry 7018053

Preview

Coordinates	7018053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba4 Ga5 Li Se12
Calculated formula	Ba4 Ga5 Li Se12
Title of publication	Ba(2)AgInS(4) and Ba(4)MGa(5)Se(12) (M = Ag, Li): syntheses, structures, and optical properties.
Authors of publication	Yin, Wenlong; Feng, Kai; Mei, Dajiang; Yao, Jiyong; Fu, Peizhen; Wu, Yicheng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	8
Pages of publication	2272 - 2276
a	13.5906 ± 0.0019 Å
b	13.5906 ± 0.0019 Å
c	6.5148 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1203.3 ± 0.3 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0358
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.066
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
179884 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/80.	7018053.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7018053.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7018053.cif
33577	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7018051, 7018052, 7018053 via cif-deposit CGI script.	7018053.cif