Crystallography Open Database

Information card for entry 7703175

Preview

Coordinates	7703175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cd Ge2 Na2 S6
Calculated formula	Cd Ge2 Na2 S6
Title of publication	Li<sub>2</sub>CdSiS<sub>4</sub>, a promising IR NLO material with a balanced E<sub>g</sub> and SHG response originating from the effect of Cd with d<sup>10</sup> configuration.
Authors of publication	Li, Guang-Mao; Chu, Yu; Li, Jun; Zhou, Zhong-Xiang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	6
Pages of publication	1975 - 1980
a	7.312 ± 0.003 Å
b	12.672 ± 0.005 Å
c	11.528 ± 0.004 Å
α	90°
β	98.869 ± 0.005°
γ	90°
Cell volume	1055.4 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0461
Goodness-of-fit parameter for all reflections included in the refinement	0.983
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
248947 (current)	2020-03-05	cif/ Updating files of 7703175 Original log message: Adding full bibliography for 7703175.cif.	7703175.cif
246522	2020-01-04	cif/ Adding structures of 7703175 via cif-deposit CGI script.	7703175.cif