Crystallography Open Database

Information card for entry 4117959

Preview

Coordinates	4117959.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	8.6885 ± 0.0005 Å
b	12.3775 ± 0.0004 Å
c	8.6384 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	928.99 ± 0.09 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0991
Goodness-of-fit parameter for all reflections included in the refinement	1.192
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.	4117959.cif
75102	2013-03-07	cif/ Adding structures of 4117959 via cif-deposit CGI script.	4117959.cif