Crystallography Open Database

Information card for entry 4332751

Preview

Coordinates	4332751.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B Fe H2 O6 P
Calculated formula	B Fe H2 O6 P
Title of publication	Chirality and Magnetism in a Novel Series of Isotypic Borophosphates: MII[BPO4(OH)2] (MII= Mn, Fe, Co)
Authors of publication	Huang, Ya-Xi; Ewald, Bastian; Schnelle, Walter; Prots, Yurii; Kniep, Rüdiger
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	19
Pages of publication	7578 - 7580
a	7.4844 ± 0.0004 Å
b	7.4844 ± 0.0004 Å
c	12.8436 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	623.06 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.059
Weighted residual factors for all reflections included in the refinement	0.064
Goodness-of-fit parameter for all reflections included in the refinement	1.198
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4332751.cif
98527	2014-01-30	cif/ Adding structures of 4332750, 4332751, 4332752 via cif-deposit CGI script.	4332751.cif