Crystallography Open Database

Information card for entry 8102997

Preview

Coordinates	8102997.cif

Structure parameters

Formula	B Co H6 Li O11 P2
Calculated formula	B Co H2 Li O11 P2
Title of publication	Crystal structure of lithium diaquacobalt(II) catena- monoboro-diphosphate monohydrate, LiCo(H2O)2[BP2O8] · H2O
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	333
a	9.4343 ± 0.0003 Å
b	9.4343 ± 0.0003 Å
c	15.728 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	1212.34 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for significantly intense reflections	0.029
Weighted residual factors for all reflections included in the refinement	0.0805
Goodness-of-fit parameter for all reflections included in the refinement	1.188
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.	8102997.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102997.cif
13736	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102997 via cif-deposit CGI script.	8102997.cif