Crystallography Open Database

Information card for entry 7707845

Preview

Coordinates	7707845.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Ga Na2 S2
Calculated formula	Cl Ga Na2 S2
Title of publication	Na<sub>2</sub>GaS<sub>2</sub>Cl: a new sodium-rich chalcohalide with two-dimensional [GaS<sub>2</sub>]<sub>∞</sub> layers and wide interlayer space.
Authors of publication	Li, Xiaoshuang; Liang, Fei; Liu, Tianpeng; Li, Haifeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	32
Pages of publication	11167 - 11172
a	7.2752 ± 0.0003 Å
b	39.3001 ± 0.0003 Å
c	7.2759 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2080.3 ± 0.12 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	4
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1271
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.214
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
268733 (current)	2021-09-06	cif/ Updating files of 7707845 Original log message: Adding full bibliography for 7707845.cif.	7707845.cif
267610	2021-07-17	cif/ Adding structures of 7707845 via cif-deposit CGI script.	7707845.cif