Crystallography Open Database

Information card for entry 4335634

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Coordinates	4335634.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	alpha-Methylammonium_Lead_Iodide
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	6.3115 ± 0.0002 Å
b	6.3115 ± 0.0002 Å
c	6.3161 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	251.602 ± 0.014 Å³
Cell temperature	400 ± 2 K
Ambient diffraction temperature	400 ± 2 K
Number of distinct elements	5
Space group number	99
Hermann-Mauguin space group symbol	P 4 m m
Hall space group symbol	P 4 -2
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0981
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.176
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.	4335634.cif
101569	2014-02-14	cif/ Adding structures of 4335634 via cif-deposit CGI script.	4335634.cif