Crystallography Open Database

Information card for entry 4341822

Preview

Coordinates	4341822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 F Li6 O6 Rb
Calculated formula	B2 F Li6 O6 Rb
SMILES	B([O-])([O-])[O-].[F-].[Li+].[Li+].[Li+].[Rb+].B([O-])([O-])[O-].[Li+].[Li+].[Li+]
Title of publication	Borate Fluoride and Fluoroborate in Alkali-Metal Borate Prepared by an Open High-Temperature Solution Method.
Authors of publication	Wu, Hongping; Yu, Hongwei; Bian, Qiang; Yang, Zhihua; Han, Shujuan; Pan, Shilie
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141201120741005
a	8.414 ± 0.013 Å
b	15.96 ± 0.02 Å
c	5.081 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	682.3 ± 1.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
179521 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18.	4341822.cif
128233	2014-12-06	cif/ Adding structures of 4341822 via cif-deposit CGI script.	4341822.cif