Crystallography Open Database

Information card for entry 7028427

Preview

Coordinates	7028427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B2 F Li0.8 Mg2.1 O5
Calculated formula	B2 F Li0.793 Mg2.1035 O5
Title of publication	Li0.8Mg2.1B2O5F: the first borate fluoride with magnesium-oxygen-fluorine octahedral chains.
Authors of publication	Wang, Zheng; Zhang, Min; Pan, Shilie; Wang, Ying; Zhang, Hui; Chen, Zhaohui
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	7
Pages of publication	2828 - 2834
a	3.0881 ± 0.0004 Å
b	13.602 ± 0.002 Å
c	9.6563 ± 0.0015 Å
α	90°
β	91.744 ± 0.009°
γ	90°
Cell volume	405.42 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0935
Weighted residual factors for all reflections included in the refinement	0.1022
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028427.cif
105314	2014-03-12	cif/ Adding structures of 7028427 via cif-deposit CGI script.	7028427.cif