Crystallography Open Database

Information card for entry 4335567

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Structure parameters

Formula	Ba Co2 O8 P2
Calculated formula	Ba Co2 O8 P2
Title of publication	Puzzling Polymorphism of Layered Ba(CoPO4)2
Authors of publication	Rénald David; Houria Kabbour; Alain Pautrat; Olivier Mentré
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8732 - 8737
a	9.211 ± 0.0003 Å
b	5.004 ± 0.0002 Å
c	8.0851 ± 0.0003 Å
α	90°
β	92.737 ± 0.001°
γ	90°
Cell volume	372.23 ± 0.02 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.045
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0361
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for significantly intense reflections	1.99
Goodness-of-fit parameter for all reflections included in the refinement	2.17
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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