Crystallography Open Database

Information card for entry 4000773

Preview

Coordinates	4000773.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Gallium chromium vanadium selenide (1/0.5/3.5/8)
Formula	Cr Ga2 Se16 V7
Calculated formula	Cr Ga2 Se16 V7
Title of publication	Interplay of Magnetism and Bonding in GaV4‒xCrxSe8
Authors of publication	Bichler, Daniel; Johrendt, Dirk
Journal of publication	Chemistry of Materials
Year of publication	2011
Journal volume	23
Journal issue	11
Pages of publication	3014
a	10.171 ± 0.0012 Å
b	10.171 ± 0.0012 Å
c	10.171 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	1052.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	216
Hermann-Mauguin space group symbol	F -4 3 m
Hall space group symbol	F -4 2 3
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0495
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4000773.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000773.cif
34943	2012-02-26	../uploads/cif-deposit/cod/cif Adding structures of 4000773 via cif-deposit CGI script.	4000773.cif