Crystallography Open Database

Information card for entry 1515134

Preview

Coordinates	1515134.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	F6 Fe2 Rb
Calculated formula	F6 Fe2 Rb
Title of publication	RbFe2+Fe3+F6: Synthesis, structure, and characterization of a new charge-ordered magnetically frustrated pyrochlore-related mixed-metal fluoride
Authors of publication	Kim, Sun Woo; Kim, Sang-Hwan; Halasyamani, P. Shiv; Green, Mark A.; Bhatti, Kanwal Preet; Leighton, C.; Das, Hena; Fennie, Craig J.
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	3
Pages of publication	741
a	7.0177 ± 0.0006 Å
b	7.4499 ± 0.0006 Å
c	10.1765 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	532.04 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
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	0.0246
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0485
Weighted residual factors for all reflections included in the refinement	0.0497
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
176729 (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 1.	1515134.cif
110874	2014-04-20	cif/ Adding structures of 1515134 via cif-deposit CGI script.	1515134.cif