Crystallography Open Database

Information card for entry 7236561

Preview

Coordinates	7236561.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	?CH3NH3?0.85[CH(NH2)2]0.15PbI3
Formula	C H5.85 I3 N1.15 Pb
Calculated formula	C I3 N1.14 Pb
Title of publication	The intrinsic properties of FA(1−x)MAxPbI3 perovskite single crystals
Authors of publication	Huang, Yuan; Li, Liang; Liu, Zonghao; Jiao, Haoyang; He, Yuqing; Wang, Xiaoge; Zhu, Rui; Wang, Dong; Sun, Junliang; Chen, Qi; Zhou, Huanping
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	18
Pages of publication	8537
a	6.3191 ± 0.0002 Å
b	6.3191 ± 0.0002 Å
c	6.3191 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	252.328 ± 0.014 Å³
Cell temperature	300 ± 0.1 K
Ambient diffraction temperature	300 ± 0.1 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	0.0259
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0608
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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
236305 (current)	2019-11-24	cif/ Adding structures of 7236561, 7236562, 7236563 via cif-deposit CGI script.	7236561.cif