Crystallography Open Database

Information card for entry 4335642

Preview

Coordinates	4335642.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Dicesium_Tin_Hexaiodide
Formula	Cs2 I6 Sn
Calculated formula	Cs2 I6 Sn
SMILES	I[Sn](I)(I)(I)([I-])[I-].[Cs+].[Cs+]
Title of publication	Semiconducting Tin and Lead Iodide Perovskites with Organic Cations: Phase Transitions, High Mobilities, and Near-Infrared Photoluminescent Properties
Authors of publication	Constantinos C. Stoumpos; Christos D. Malliakas; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	9019 - 9038
a	11.6276 ± 0.0009 Å
b	11.6276 ± 0.0009 Å
c	11.6276 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	1572.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	225
Hermann-Mauguin space group symbol	F m -3 m
Hall space group symbol	-F 4 2 3
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.483
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
179459 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/56.	4335642.cif
101577	2014-02-14	cif/ Adding structures of 4335642 via cif-deposit CGI script.	4335642.cif