Crystallography Open Database

Information card for entry 4001369

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Coordinates	4001369.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	barium cobalt oxyfluorure
Formula	Ba6 Co6 F O16
Calculated formula	Ba6 Co6 F O15.99
Title of publication	New BaCoO3-δPolytypes by Rational Substitution of O2-for F-
Authors of publication	Ehora, Ghislaine; Renard, Catherine; Daviero-Minaud, Sylvie; Mentré, Olivier
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	12
Pages of publication	2924
a	5.6683 ± 0.0005 Å
b	5.6683 ± 0.0005 Å
c	14.277 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	397.26 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0164
Residual factor for significantly intense reflections	0.016
Weighted residual factors for significantly intense reflections	0.0346
Weighted residual factors for all reflections included in the refinement	0.0348
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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