Crystallography Open Database

Information card for entry 8103033

Preview

Coordinates	8103033.cif

Structure parameters

Common name	(Co0.6Mn0.4)2(H2O)[BP3O9(OH)4]
Chemical name	cobalt manganese aqua catena- [monohydrogen-monoborate-tris(monohydrogen-monophosphate)], (Co~0.6~Mn~0.4~)~2~(H~2~O)[BP~3~O~9~(OH)~4~]
Formula	B Co1.2 H6 Mn0.8 O14 P3
Calculated formula	B Co1.2 H6 Mn0.8 O14 P3
Title of publication	Crystal structure of cobalt manganese monoaqua catena-[monohydrogenborate-tris(hydrogenphosphate)], (Co0.6Mn0.4)2(H2O)[BP3O9(OH)4]
Authors of publication	Ya-Xi Huang; Yurii Prots; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	3
Pages of publication	371
a	7.1355 ± 0.0006 Å
b	8.7321 ± 0.0008 Å
c	16.405 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1022.16 ± 0.18 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0526
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1189
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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.	8103033.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103033.cif
13772	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103033 via cif-deposit CGI script.	8103033.cif