Crystallography Open Database

Information card for entry 4335636

Preview

Coordinates	4335636.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Methylammonium_Tin_Iodide
Formula	C H6 I3 N Sn
Calculated formula	C I3 N Sn
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	8.7577 ± 0.0015 Å
b	8.7577 ± 0.0015 Å
c	12.429 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	953.3 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	108
Hermann-Mauguin space group symbol	I 4 c m
Hall space group symbol	I 4 -2c
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0637
Weighted residual factors for significantly intense reflections	0.1442
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.142
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.	4335636.cif
101571	2014-02-14	cif/ Adding structures of 4335636 via cif-deposit CGI script.	4335636.cif