Crystallography Open Database

Information card for entry 7242250

Preview

Coordinates	7242250.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd0.19 Cl0.61 Ga0.5 La1.5 S2.89
Calculated formula	Cd0.1865 Cl0.5175 Ga0.5002 La1.5 S2.9825
Title of publication	La6Cd0.75Ga2Q11.5Cl2.5 (Q = S and Se): two new nonlinear optical chalcohalides with a large laser-induced damage threshold
Authors of publication	Lin, Feng; Luo, Mengjia; Wang, Ruiqi; Che, Xiangli; Huang, Fuqiang
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	10
Pages of publication	2133 - 2137
a	10.1788 ± 0.0003 Å
b	10.1788 ± 0.0003 Å
c	6.0633 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	544.04 ± 0.03 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	5
Space group number	173
Hermann-Mauguin space group symbol	P 63
Hall space group symbol	P 6c
Residual factor for all reflections	0.0182
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0348
Weighted residual factors for all reflections included in the refinement	0.0352
Goodness-of-fit parameter for all reflections included in the refinement	1.122
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
265937 (current)	2021-06-05	cif/ Updating files of 7242250 Original log message: Adding full bibliography for 7242250.cif.	7242250.cif
261850	2021-02-09	cif/ Adding structures of 7242250 via cif-deposit CGI script.	7242250.cif