Crystallography Open Database

Information card for entry 4000922

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Coordinates	4000922.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H2 O7 Se2 V
Calculated formula	H O3.5 Se V0.5
Title of publication	Stereo-Active Lone-Pair Control on the Ferromagnetic Behavior in VO(SeO2OH)2: A New Acentric Ferromagnetic Material
Authors of publication	Kim, Sang-Hwan; Yeon, Jeongho; Sefat, Athena S.; Mandrus, David G.; Halasyamani, P. Shiv
Journal of publication	Chemistry of Materials
Year of publication	2010
Journal volume	22
Journal issue	24
Pages of publication	6665
a	8.9181 ± 0.0003 Å
b	8.9181 ± 0.0003 Å
c	7.9708 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	633.94 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0186
Residual factor for significantly intense reflections	0.0125
Weighted residual factors for all reflections included in the refinement	0.0303
Goodness-of-fit parameter for all reflections included in the refinement	0.905
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4000922.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4000922.cif
36575	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4000922 via cif-deposit CGI script.	4000922.cif