Crystallography Open Database

Information card for entry 4002151

Preview

Coordinates	4002151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Fe0.91 Se
Calculated formula	Fe0.91 Se
Title of publication	A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity
Authors of publication	Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	2
Pages of publication	588
a	3.78733 ± 0.00014 Å
b	3.78733 ± 0.00014 Å
c	5.5144 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	79.098 ± 0.006 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	2
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	0.0699
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for all reflections	0.0668
Weighted residual factors for significantly intense reflections	0.0666
Goodness-of-fit parameter for all reflections	0.97
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.413734 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4002151.cif
138077	2015-06-05	cif/ Updating files of 4002151, 4002152, 4002153, 4002154 Original log message: Adding full bibliography for 4002151--4002154.cif.	4002151.cif
129759	2015-01-17	cif/ Adding structures of 4002151 via cif-deposit CGI script.	4002151.cif