Crystallography Open Database

Information card for entry 1529267

Preview

Coordinates	1529267.cif
Original paper (by DOI)	HTML

Structure parameters

Mineral name	CsFe2F6
Formula	Cs F6 Fe2
Calculated formula	Cs F6 Fe2
Title of publication	Crystal structure and phase transition mechanisms in CsFe2F6
Authors of publication	Molokeev, Maxim; Bogdanov, Evgeniy; Misjul', Sergey; Tressaud, Alain; Flerov, Igor
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	200
Journal issue	0
Pages of publication	157
a	7.24433 ± 0.0001 Å
b	7.482292 ± 0.000094 Å
c	10.42376 ± 0.00013 Å
α	90°
β	90°
γ	90°
Cell volume	565.011 ± 0.013 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 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 R(I) for significantly intense reflections	1.31
Goodness-of-fit parameter for all reflections included in the refinement	2.065
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~~2~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1529267.cif
176428	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.	1529267.cif
152465	2015-07-23	cif/ Adding structures of 1529267 via cif-deposit CGI script.	1529267.cif