Crystallography Open Database

Information card for entry 4338587

Preview

Coordinates	4338587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Co Cr2 Se4
Calculated formula	Co0.96 Cr2 Se4
Title of publication	High-Temperature Order-Disorder Transition in CoCr~2~Se~4~ and Trapping Co Disorder in Monoclinic CoCr~2~Se~4~: Structural Features of Cu~1-x~Co~x~Cr~2~Se~4~ Phases
Authors of publication	Svitlyk, Volodymyr; Mozharivskyj, Yurij
Journal of publication	Inorganic chemistry
Year of publication	2009
Journal volume	48
Journal issue	12
Pages of publication	5296 - 5302
a	13.025 ± 0.006 Å
b	3.6063 ± 0.0012 Å
c	6.263 ± 0.003 Å
α	90°
β	117.88 ± 0.03°
γ	90°
Cell volume	260 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
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	0.1385
Residual factor for significantly intense reflections	0.0553
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	0.847
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
210036 (current)	2018-08-22	cif/4/ Updating bibliography in entries 4302344-4302346, 4338587-4338589. Marking entries 4302344-4302346 as duplicates of entries 4338587-4338589.	4338587.cif
179488	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 4/33/85.	4338587.cif
114760	2014-05-29	cif/ Adding structures of 4338587, 4338588, 4338589 via cif-deposit CGI script.	4338587.cif