Crystallography Open Database

Information card for entry 7055094

Preview

Coordinates	7055094.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F2 Mg5 O8 Si2
Calculated formula	F2 Mg5 O8 Si2
Title of publication	Synthesis, structures, and properties of two magnesium silicate fluorides Mg5(SiO4)2F2and Mg3SiO4F2
Authors of publication	Zhen, Ni; Wu, Kui; Li, Qiang; Pan, Shilie; Gao, Wenhui; Yang, Zhihua
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	11
Pages of publication	8866
a	7.774 ± 0.002 Å
b	4.6585 ± 0.0011 Å
c	10.254 ± 0.003 Å
α	90°
β	109.516 ± 0.015°
γ	90°
Cell volume	350.02 ± 0.16 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.0729
Residual factor for significantly intense reflections	0.0671
Weighted residual factors for significantly intense reflections	0.1935
Weighted residual factors for all reflections included in the refinement	0.1981
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7055094.cif
171318	2015-12-09	cif/ Updating files of 7055094, 7055095 Original log message: Adding full bibliography for 7055094--7055095.cif.	7055094.cif
155194	2015-09-08	cif/ Adding structures of 7055094, 7055095 via cif-deposit CGI script.	7055094.cif