Crystallography Open Database

Information card for entry 7111682

Preview

Coordinates	7111682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba8 Cl Co2 Mn6 O22
Calculated formula	Ba8 Cl Co2 Mn6 O21.9999
Title of publication	Ba8Co2Mn6ClO22, a quasi-1D hexagonal perovskite polytype containing new 8H-blocks
Authors of publication	Iorgulescu, Mihaela; Kabbour, Houria; Tancret, Nathalie; Mentré, Olivier; Roussel, Pascal
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	29
Pages of publication	5271 - 5273
a	5.7207 ± 0.0002 Å
b	5.7207 ± 0.0002 Å
c	19.4099 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	550.11 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	187
Hermann-Mauguin space group symbol	P -6 m 2
Hall space group symbol	P -6 2
Residual factor for all reflections	0.0356
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0569
Weighted residual factors for all reflections included in the refinement	0.0571
Goodness-of-fit parameter for significantly intense reflections	3.6
Goodness-of-fit parameter for all reflections included in the refinement	3.5
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7111682.cif
96732	2014-01-29	cif/ Adding structures of 7111682 via cif-deposit CGI script.	7111682.cif