Crystallography Open Database

Information card for entry 4002217

Preview

Coordinates	4002217.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	lead cobalt rhenium oxide
Formula	Cr0.5 O3 Pb Re0.5
Calculated formula	Cr0.495 O3 Pb Re0.505
Title of publication	Half-Metallicity in Pb2CoReO6Double Perovskite and High Magnetic Ordering Temperature in Pb2CrReO6Perovskite
Authors of publication	Retuerto, Maria; Li, Man-Rong; Stephens, Peter W.; Sánchez-Benítez, Javier; Deng, Xiaoyu; Kotliar, Gabriel; Croft, Mark C.; Ignatov, Alexander; Walker, David; Greenblatt, Martha
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	12
Pages of publication	4450
a	3.93936 ± 0.00001 Å
b	3.93936 ± 0.00001 Å
c	3.93936 ± 0.00001 Å
α	90°
β	90°
γ	90°
Cell volume	61.1332 ± 0.0003 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor R(I) for significantly intense reflections	0.014
Goodness-of-fit parameter for all reflections	4.23
Method of determination	powder diffraction
Diffraction radiation wavelength	0.70018 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4002217.cif
139987	2015-07-04	cif/ Adding structures of 4002217 via cif-deposit CGI script.	4002217.cif