Crystallography Open Database

Information card for entry 4343381

Preview

Coordinates	4343381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ca Fe O S
Calculated formula	Ca Fe O S
Title of publication	Magnetodielectric Effect in Crystals of the Noncentrosymmetric CaOFeS at Low Temperature.
Authors of publication	Delacotte, Charlène; Pérez, Olivier; Pautrat, Alain; Berthebaud, David; Hébert, Sylvie; Suard, Emmanuelle; Pelloquin, Denis; Maignan, Antoine
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6560 - 6565
a	3.7519 ± 0.0002 Å
b	3.7519 ± 0.0002 Å
c	11.349 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	138.354 ± 0.016 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for significantly intense reflections	1.5
Goodness-of-fit parameter for all reflections included in the refinement	1.72
Diffraction radiation probe	x-ray
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
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.	4343381.cif
154603	2015-09-06	cif/ Updating files of 4343381 Original log message: Adding full bibliography for 4343381.cif.	4343381.cif
139420	2015-06-20	cif/ Adding structures of 4343381 via cif-deposit CGI script.	4343381.cif