Crystallography Open Database

Information card for entry 1563376

Preview

Coordinates	1563376.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cs8Au3.5In1.5Cl23 Yellow (Eg=2.37eV)
Formula	Au3.5 Cl23 Cs8 In1.5
Calculated formula	Au3.4999 Cl23.0004 Cs8 In1.5001
Title of publication	A New Perspective and Design Principle for Halide Perovskites: Ionic Octahedron Network (ION).
Authors of publication	Jin, Jianbo; Folgueras, Maria C.; Gao, Mengyu; Yu, Sunmoon; Louisia, Sheena; Zhang, Ye; Quan, Li Na; Chen, Chubai; Zhang, Rui; Seeler, Fabian; Schierle-Arndt, Kerstin; Yang, Peidong
Journal of publication	Nano letters
Year of publication	2021
Journal volume	21
Journal issue	12
Pages of publication	5415 - 5421
a	10.4849 ± 0.0002 Å
b	10.4849 ± 0.0002 Å
c	10.4849 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1152.64 ± 0.04 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
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	0.0576
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.123
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation probe	x-ray
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
266976 (current)	2021-07-04	cif/ Updating files of 1563375, 1563376 Original log message: Adding full bibliography for 1563375--1563376.cif.	1563376.cif
266419	2021-06-14	cif/ Adding structures of 1563376 via cif-deposit CGI script.	1563376.cif