Crystallography Open Database

Information card for entry 1572222

Preview

Coordinates	1572222.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	K4HgGa9S16Cl
Formula	Cl Ga9 Hg K4 S16
Calculated formula	Cl Ga9 Hg K4 S16
Title of publication	Salt-inclusion chalcogenides with d-orbital components: unveiling remarkable nonlinear optical properties and dual-band photoluminescence.
Authors of publication	Pei, Shao-Min; Zhang, Ming-Shu; Wu, Fan; Guo, Yan; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
Journal of publication	Chemical science
Year of publication	2024
Journal volume	15
Journal issue	34
Pages of publication	13753 - 13759
a	8.4316 ± 0.0003 Å
b	9.8787 ± 0.0004 Å
c	9.8986 ± 0.0004 Å
α	68.22 ± 0.004°
β	74.878 ± 0.003°
γ	84.986 ± 0.003°
Cell volume	739.08 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1129
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1
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
294496 (current)	2024-09-06	cif/ Updating files of 1572221, 1572222 Original log message: Adding full bibliography for 1572221--1572222.cif.	1572222.cif
293606	2024-08-01	cif/ Adding structures of 1572221, 1572222 via cif-deposit CGI script.	1572222.cif