Crystallography Open Database

Information card for entry 4122893

Preview

Coordinates	4122893.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Methylammonium Lead Iodide Hydrate
Formula	C H8 I3 N O Pb
Calculated formula	C H8 I3 N O Pb
Title of publication	Controllable Perovskite Crystallization at a Gas‒Solid Interface for Hole Conductor-Free Solar Cells with Steady Power Conversion Efficiency over 10%
Authors of publication	Hao, Feng; Stoumpos, Constantinos C.; Liu, Zhao; Chang, Robert P. H.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Pages of publication	141106073145004
a	10.3939 ± 0.0009 Å
b	4.6419 ± 0.0002 Å
c	11.1181 ± 0.0009 Å
α	90°
β	101.161 ± 0.007°
γ	90°
Cell volume	526.27 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for significantly intense reflections	0.0495
Weighted residual factors for all reflections included in the refinement	0.0506
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
179030 (current)	2016-03-22	cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/28.	4122893.cif
126614	2014-11-07	cif/ Adding structures of 4122893 via cif-deposit CGI script.	4122893.cif