Crystallography Open Database

Information card for entry 4001235

Preview

Coordinates	4001235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O4.5 Pb V1.5
Calculated formula	O2.25 Pb0.5 V0.75
Title of publication	Investigation of the Vanadyl Bond Ordering and Analysis of the Spin Exchange Interactions in Pb2V3O9and Pb2As2VO9
Authors of publication	Mentré, O.; Koo, H.-J.; Whangbo, M.-H.
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	22
Pages of publication	6929
a	7.6325 Å
b	16.5001 Å
c	6.9985 Å
α	90°
β	119.501°
γ	90°
Cell volume	767.098 Å³
Ambient diffraction temperature	823 K
Number of distinct elements	3
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0501
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0659
Goodness-of-fit parameter for significantly intense reflections	0.86
Goodness-of-fit parameter for all reflections included in the refinement	0.89
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.	4001235.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001235.cif
41928	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001235 via cif-deposit CGI script.	4001235.cif