Crystallography Open Database

Information card for entry 4335638

Preview

Coordinates	4335638.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Methylammonium_Lead_Triiodide
Formula	C H6 I3 N Pb
Calculated formula	C I3 N Pb
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	8.849 ± 0.002 Å
b	8.849 ± 0.002 Å
c	12.642 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	989.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0418
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0865
Weighted residual factors for all reflections included in the refinement	0.0879
Goodness-of-fit parameter for all reflections included in the refinement	1.268
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.	4335638.cif
101573	2014-02-14	cif/ Adding structures of 4335638 via cif-deposit CGI script.	4335638.cif