Crystallography Open Database

Information card for entry 4335631

Preview

Coordinates	4335631.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	alpha-Formamidinium_Lead_Iodide
Formula	C H5 I3 N2 Pb
Calculated formula	C I3 N2.01 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	8.9817 ± 0.0013 Å
b	8.9817 ± 0.0013 Å
c	11.006 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	768.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	156
Hermann-Mauguin space group symbol	P 3 m 1
Hall space group symbol	P 3 -2"
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	0.908
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.	4335631.cif
101566	2014-02-14	cif/ Adding structures of 4335631 via cif-deposit CGI script.	4335631.cif