Crystallography Open Database

Information card for entry 2107520

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Structure parameters

Common name	Tin Selenide
Formula	Se Sn0.9816
Calculated formula	Se Sn0.9816
Title of publication	Crystal structure and phase transition of thermoelectric SnSe
Authors of publication	Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	3
Pages of publication	310 - 316
a	4.29978 ± 0.00008 Å
b	11.71878 ± 0.00017 Å
c	4.31479 ± 0.00008 Å
α	90°
β	90°
γ	90°
Cell volume	217.414 ± 0.007 Å³
Cell temperature	855 ± 5 K
Ambient diffraction temperature	855 ± 5 K
Number of distinct elements	2
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for all reflections	0.0124
Weighted residual factors for significantly intense reflections	0.0122
Goodness-of-fit parameter for all reflections	2.32
Method of determination	powder diffraction
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.50021 Å
Diffraction radiation type	Synchrotron,monochromatic
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
183633 (current)	2016-06-17	cif/ Updating files of 2107508, 2107509, 2107510, 2107511, 2107512, 2107513, 2107514, 2107515, 2107516, 2107517, 2107518, 2107519, 2107520 Original log message: Adding full bibliography for 2107508--2107520.cif.	2107520.cif 2107520.hkl
182944	2016-05-14	cif/ hkl/ Adding structures of 2107508, 2107509, 2107510, 2107511, 2107512, 2107513, 2107514, 2107515, 2107516, 2107517, 2107518, 2107519, 2107520 via cif-deposit CGI script.	2107520.cif 2107520.hkl