Crystallography Open Database

Information card for entry 4335639

Preview

Coordinates	4335639.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	delta-Cesium_Lead_Iodide
Formula	Cs I3 Pb
Calculated formula	Cs I3 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	10.4342 ± 0.0007 Å
b	4.7905 ± 0.0003 Å
c	17.761 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	887.78 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	3
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0457
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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.	4335639.cif
101574	2014-02-14	cif/ Adding structures of 4335639 via cif-deposit CGI script.	4335639.cif