Crystallography Open Database

Information card for entry 4124388

Preview

Coordinates	4124388.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MAPbI3
Formula	C H6 I3 N Pb
Calculated formula	C1.04 H6.24 I3 N1.04 Pb
Title of publication	Dynamic Optical Properties of CH3NH3PbI3 Single Crystals As Revealed by One- and Two-Photon Excited Photoluminescence Measurements.
Authors of publication	Yamada, Yasuhiro; Yamada, Takumi; Phuong, Le Quang; Maruyama, Naoki; Nishimura, Hidetaka; Wakamiya, Atsushi; Murata, Yasujiro; Kanemitsu, Yoshihiko
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Pages of publication	150814091520002
a	8.8392 ± 0.0003 Å
b	8.8392 ± 0.0003 Å
c	12.6948 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	991.86 ± 0.06 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	5
Space group number	140
Hermann-Mauguin space group symbol	I 4/m c m
Hall space group symbol	-I 4 2c
Residual factor for all reflections	0.0554
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1373
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	1.31
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKa
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
278046 (current)	2022-09-21	cod/ Updated space group information using the 'cif_filter' program.	4124388.cif
154278	2015-09-04	cif/ Adding structures of 4124388 via cif-deposit CGI script.	4124388.cif