Crystallography Open Database

Information card for entry 4102185

Preview

Coordinates	4102185.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba0.417 Co0.417 F0.083 O1.083
Calculated formula	Ba0.416667 Co0.416667 F0.063375 O1.08333
Title of publication	Anion-Vacancy-Induced Magneto-Crystalline Anisotropy in Fluorine-Doped hexagonal Cobaltites
Authors of publication	Olivier Mentré; Houria Kabbour; Ghislaine Ehora; Grégory Tricot; Sylvie Daviero-Minaud; Myung-Hwan Whangbo
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	4865 - 4875
a	5.71 ± 0.002 Å
b	5.71 ± 0.002 Å
c	23.925 ± 0.01 Å
α	90°
β	90°
γ	120°
Cell volume	675.5 ± 0.4 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0221
Weighted residual factors for all reflections included in the refinement	0.023
Goodness-of-fit parameter for significantly intense reflections	2.94
Goodness-of-fit parameter for all reflections included in the refinement	2.74
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.	4102185.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102185.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102185.cif
25037	2011-09-09	../uploads/cif-deposit/cod/cif Adding structures of 4102185 via cif-deposit CGI script.	4102185.cif