Crystallography Open Database

Information card for entry 4335635

Preview

Coordinates	4335635.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	beta-Formamidinium_Lead_Iodide
Formula	C H5 I3 N2 Pb
Calculated formula	C I3 N2.0025 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	17.7914 ± 0.0008 Å
b	17.7914 ± 0.0008 Å
c	10.9016 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	2988.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.178
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.1584
Weighted residual factors for all reflections included in the refinement	0.2133
Goodness-of-fit parameter for all reflections included in the refinement	0.839
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.	4335635.cif
101570	2014-02-14	cif/ Adding structures of 4335635 via cif-deposit CGI script.	4335635.cif