Crystallography Open Database

Information card for entry 4335640

Preview

Coordinates	4335640.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	delta-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	8.6603 ± 0.0014 Å
b	8.6603 ± 0.0014 Å
c	7.9022 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	513.27 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	186
Hermann-Mauguin space group symbol	P 63 m c
Hall space group symbol	P 6c -2c
Residual factor for all reflections	0.0516
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	4335640.cif
101575	2014-02-14	cif/ Adding structures of 4335640 via cif-deposit CGI script.	4335640.cif