Crystallography Open Database

Information card for entry 4124275

Preview

Coordinates	4124275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C F Mg O3 Rb
Calculated formula	C F Mg O3 Rb
Title of publication	RbMgCO3F: A New Beryllium-Free Deep-Ultraviolet Nonlinear Optical Material.
Authors of publication	Tran, T. Thao; He, Jiangang; Rondinelli, James M.; Halasyamani, P. Shiv
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Pages of publication	150814134038006
a	9.016 ± 0.0003 Å
b	9.016 ± 0.0003 Å
c	3.9403 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	277.388 ± 0.019 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	189
Hermann-Mauguin space group symbol	P -6 2 m
Hall space group symbol	P -6 -2
Residual factor for all reflections	0.0087
Residual factor for significantly intense reflections	0.0086
Weighted residual factors for significantly intense reflections	0.0199
Weighted residual factors for all reflections included in the refinement	0.0199
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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.	4124275.cif
153451	2015-08-16	cif/ Adding structures of 4124275 via cif-deposit CGI script.	4124275.cif