Crystallography Open Database

Information card for entry 8103000

Preview

Coordinates	8103000.cif

Structure parameters

Formula	B Ba Co H O9 P2
Calculated formula	B Ba Co H O9 P2
Title of publication	Crystal structure of barium cobalt(II) (monophosphate- hydrogenmonoborate-monophosphate), BaCo[BP2O8(OH)]
Authors of publication	Prashanth W. Menezes; Stefan Hoffmann; Yurii Prots; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2008
Journal volume	223
Journal issue	4
Pages of publication	339
a	5.3147 ± 0.0003 Å
b	7.9926 ± 0.0008 Å
c	8.2936 ± 0.0008 Å
α	88.634 ± 0.014°
β	79.461 ± 0.01°
γ	87.139 ± 0.013°
Cell volume	345.88 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for all reflections included in the refinement	0.0684
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103000.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103000.cif
13739	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103000 via cif-deposit CGI script.	8103000.cif