Crystallography Open Database

Information card for entry 4110814

Preview

Coordinates	4110814.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	bismuth copper oxide vanado-phosphate
Formula	Bi Cu2 O6 P0.32 V0.68
Calculated formula	Bi Cu2 O6 P0.679 V0.321
Title of publication	Structural Features of the Modulated BiCu2(P1-xVx)O6 Solid Solution; 4-D Treatment of x=0.87 Compound and Magnetic Spin-Gap to Gapless Transition in New Cu2+ Two-Leg Ladder Systems
Authors of publication	Olivier Mentré; El Mostafa Ketatni; Marie Colmont; Marielle Huvé; Francis Abraham; Vaclav Petricek
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	10857 - 10867
a	11.884 ± 0.003 Å
b	5.237 ± 0.001 Å
c	7.808 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	485.9 ± 0.2 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0251
Weighted residual factors for all reflections included in the refinement	0.0257
Goodness-of-fit parameter for significantly intense reflections	1.98
Goodness-of-fit parameter for all reflections included in the refinement	1.93
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4110814.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110814.cif
59666	2012-06-13	cif/ Adding structures of 4110814 via cif-deposit CGI script.	4110814.cif