Crystallography Open Database

Information card for entry 7225287

Preview

Coordinates	7225287.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	CH3NH3PbI3
Formula	C H6 I3 N Pb
Calculated formula	C I3 N Pb
Title of publication	Controllable growth of bulk cubic-phase CH3NH3PbI3single crystal with exciting room-temperature stability
Authors of publication	Luan, Mengyu; Song, Junling; Wei, Xiangfeng; Chen, Fang; Liu, Jiehua
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	28
Pages of publication	5257
a	6.2723 ± 0.0012 Å
b	6.2723 ± 0.0012 Å
c	6.2723 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	246.76 ± 0.08 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.0433
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1016
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.2
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
185272 (current)	2016-08-07	cif/ Updating files of 7225287 Original log message: Adding full bibliography for 7225287.cif.	7225287.cif
183037	2016-05-20	cif/ Adding structures of 7225287 via cif-deposit CGI script.	7225287.cif