Crystallography Open Database

Information card for entry 7220201

7220200 << 7220201 >> 7220202

Preview

Coordinates	7220201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe1.15 H Li0.85 O S
Calculated formula	Fe1.146 H Li0.854 O S
Title of publication	Synthesis, crystal structure and physical properties of [Li0.85Fe0.15OH][FeS]
Authors of publication	Zhang, Xian; Lai, Xiaofang; Yi, Na; He, Jianqiao; Chen, Haijie; Zhang, Hui; Lin, Jianhua; Huang, Fuqiang
Journal of publication	RSC Adv.
Year of publication	2015
Journal volume	5
Journal issue	48
Pages of publication	38248
a	3.6886 ± 0.0003 Å
b	3.6886 ± 0.0003 Å
c	8.9149 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	121.29 ± 0.02 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	129
Hermann-Mauguin space group symbol	P 4/n m m :2
Hall space group symbol	-P 4a 2a
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0303
Weighted residual factors for significantly intense reflections	0.0813
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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.	7220201.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.	7220201.cif
135760	2015-05-08	cif/ Adding structures of 7220201 via cif-deposit CGI script.	7220201.cif