Crystallography Open Database

Information card for entry 7236562

Preview

Coordinates	7236562.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[CH(NH2)2]0.85[CH3NH3]0.15PbI3
Formula	C H5.15 I3 N1.85 Pb
Calculated formula	C I3 N1.86 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	6.3749 ± 0.0004 Å
b	6.3749 ± 0.0004 Å
c	6.3749 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	259.07 ± 0.03 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	0.0281
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0595
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.199
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.	7236562.cif