Crystallography Open Database

Information card for entry 8102998

Preview

Coordinates	8102998.cif

Structure parameters

Formula	B Ca Fe H3 O10 P2
Calculated formula	B Ca Fe H2 O10 P2
Title of publication	Crystal structure of calcium iron(II) hydrogenmonophosphate- dihydrogenmonoborate-monophosphate, CaFe[BP2O7(OH)3]
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	335
a	10.2332 ± 0.0015 Å
b	8.2391 ± 0.0008 Å
c	9.1587 ± 0.0012 Å
α	90°
β	117.069 ± 0.006°
γ	90°
Cell volume	687.61 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for all reflections included in the refinement	0.0649
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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.	8102998.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102998.cif
13737	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102998 via cif-deposit CGI script.	8102998.cif