Crystallography Open Database

Information card for entry 8103038

Preview

Coordinates	8103038.cif

Structure parameters

Formula	B H2 Li3 O17 P4 V2
Calculated formula	B H2 Li3 O17 P4 V2
Title of publication	Crystal structure of trilithium divanadium(III) borophosphate hydrogenphosphate, Li3V2[BP3O12(OH)][HPO4]
Authors of publication	Zhi-Sheng Lin; Stefan Hoffmann; Ya-Xi Huang; Yurii Prots; Jing-Tai Zhao; Rüdiger Kniep
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2010
Journal volume	225
Journal issue	1
Pages of publication	3
a	9.3783 ± 0.0005 Å
b	8.2313 ± 0.0004 Å
c	17.7504 ± 0.0009 Å
α	90°
β	119.394 ± 0.003°
γ	90°
Cell volume	1193.85 ± 0.11 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0412
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.082
Goodness-of-fit parameter for all reflections included in the refinement	1.112
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
176728 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8103038.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103038.cif
13777	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8103038 via cif-deposit CGI script.	8103038.cif