Crystallography Open Database

Information card for entry 4117957

Preview

Coordinates	4117957.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs I3 Sn
Calculated formula	Cs I3 Sn
Title of publication	CsSnI3: Semiconductor or Metal? High Electrical Conductivity and Strong Near-Infrared Photoluminescence from a Single Material. High Hole Mobility and Phase-Transitions
Authors of publication	In Chung; Jung-Hwan Song; Jino Im; John Androulakis; Christos D. Malliakas; Hao Li; Arthur J. Freeman; John T. Kenney; Mercouri G. Kanatzidis
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	8579 - 8587
a	6.2057 ± 0.0007 Å
b	6.2057 ± 0.0007 Å
c	6.2057 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	238.99 ± 0.05 Å³
Cell temperature	500 ± 2 K
Ambient diffraction temperature	500 ± 2 K
Number of distinct elements	3
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0707
Goodness-of-fit parameter for all reflections included in the refinement	1.171
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
178950 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/79.	4117957.cif
75100	2013-03-07	cif/ Adding structures of 4117957 via cif-deposit CGI script.	4117957.cif