Crystallography Open Database

Information card for entry 4336314

Preview

Coordinates	4336314.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba7 F8 In2 Se6
Calculated formula	Ba7 F8 In2 Se6
Title of publication	Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties
Authors of publication	Kai Feng; Wenlong Yin; Zuohong Lin; Jiyong Yao; Yicheng Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11503 - 11508
a	24.007 ± 0.005 Å
b	4.3816 ± 0.0009 Å
c	10.902 ± 0.002 Å
α	90°
β	107.19 ± 0.03°
γ	90°
Cell volume	1095.5 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0626
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
179466 (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 4/33/63.	4336314.cif
102292	2014-02-19	cif/ Adding structures of 4336314 via cif-deposit CGI script.	4336314.cif