Crystallography Open Database

Information card for entry 7248763

Preview

Coordinates	7248763.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Br2.7 Cs I0.3 Pb
Calculated formula	Br2.7 Cs I0.3 Pb
Title of publication	Spontaneous phase transition from 3D perovskite to 1D non-perovskite in CsPbBr2.7I0.3
Authors of publication	Shen, Meng; Zhang, Yulin; Cheng, Bingliang; Ma, Wenjuan; Huang, Xiaole; Zhang, Lei; Chai, Zhifang; Lin, Wenwen
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	24
Pages of publication	3162 - 3166
a	8.2876 ± 0.0017 Å
b	11.814 ± 0.003 Å
c	8.2579 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	808.5 ± 0.3 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0893
Weighted residual factors for all reflections included in the refinement	0.1069
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
292939 (current)	2024-07-05	cif/ Updating files of 7248763 Original log message: Adding full bibliography for 7248763.cif.	7248763.cif
292142	2024-06-01	cif/ Adding structures of 7248763 via cif-deposit CGI script.	7248763.cif