Crystallography Open Database

Information card for entry 7208608

7208607 << 7208608 >> 7208609

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Coordinates	7208608.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba Cu3 H2 O10 V2
Calculated formula	Ba Cu3 H3.9996 O9.9998 V1.9998
Title of publication	β-Vesignieite BaCu3V2O8(OH)2: a structurally perfect S = 1/2 kagomé antiferromagnet
Authors of publication	Yoshida, Hiroyuki; Michiue, Yuichi; Takayama-Muromachi, Eiji; Isobe, Masaaki
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	36
Pages of publication	18793
a	5.9295 ± 0.001 Å
b	5.9295 ± 0.001 Å
c	20.79 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	633.03 ± 0.19 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0322
Weighted residual factors for all reflections included in the refinement	0.0337
Goodness-of-fit parameter for significantly intense reflections	1.83
Goodness-of-fit parameter for all reflections included in the refinement	1.69
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7208608.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208608.cif
66552	2012-09-11	cif/ Adding structures of 7208608 via cif-deposit CGI script.	7208608.cif