Crystallography Open Database

Information card for entry 4001236

Preview

Coordinates	4001236.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	O9 Pb2 V3
Calculated formula	O9 Pb2 V3
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	7.6002 Å
b	16.411 Å
c	6.9815 Å
α	91.336°
β	119.324°
γ	90.517°
Cell volume	758.787 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	3
Space group number	1
Hermann-Mauguin space group symbol	C 1
Hall space group symbol	C 1
Residual factor for all reflections	0.0798
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.0499
Weighted residual factors for all reflections included in the refinement	0.0516
Goodness-of-fit parameter for significantly intense reflections	2.35
Goodness-of-fit parameter for all reflections included in the refinement	1.94
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
209123 (current)	2018-07-19	cif/ Updating space group information in entries 1527649, 1528651, 1532004, 1541965, 1542224, 2003076, 2104292, 2310681, 2310978, 4001236, 4021294, 8103636.	4001236.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4001236.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001236.cif
41929	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001236 via cif-deposit CGI script.	4001236.cif