Crystallography Open Database

Information card for entry 7116665

Preview

Coordinates	7116665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe1.172 H Li0.828 O S
Calculated formula	Fe1.172 H Li0.828 O S
Title of publication	[(Li0.8Fe0.2)OH]FeS and the ferromagnetic superconductors [(Li0.8Fe0.2)OH]Fe(S1-xSex) (0 < x ? 1)
Authors of publication	U. Pachmayr; D. Johrendt
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	4689
a	3.7038 ± 0.0002 Å
b	3.7038 ± 0.0002 Å
c	8.8852 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	121.888 ± 0.018 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :1
Hall space group symbol	P 4ab 2ab -1ab
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0209
Weighted residual factors for significantly intense reflections	0.0419
Weighted residual factors for all reflections included in the refinement	0.0444
Goodness-of-fit parameter for significantly intense reflections	1.31
Goodness-of-fit parameter for all reflections included in the refinement	1.21
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
201220 (current)	2017-09-25	cif/7/11/66/ Removing the misspelt _publ_section_titel data name from entry 7116665.	7116665.cif
201219	2017-09-25	cif/ Moving the _cell_formula_units_Z data item out of the looped context in entries 2241882, 4020869, 4020871, 7116665.	7116665.cif
176432	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7116665.cif
132729	2015-03-04	cif/ Adding structures of 7116665 via cif-deposit CGI script.	7116665.cif