Crystallography Open Database

Information card for entry 7119511

7119510 << 7119511 >> 7119512

Preview

Coordinates	7119511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge2 Hg Li4 S7
Calculated formula	Ge2 Hg Li4 S7
Title of publication	The first quaternary diamond-like semiconductor with 10-membered LiS4 rings exhibiting excellent nonlinear optical performances.
Authors of publication	Wu, Kui; Yang, Zhihua; Pan, Shilie
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	21
Pages of publication	3010 - 3013
a	16.876 ± 0.002 Å
b	6.7764 ± 0.0008 Å
c	10.1613 ± 0.0013 Å
α	90°
β	93.36 ± 0.007°
γ	90°
Cell volume	1160 ± 0.2 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	0.0204
Residual factor for significantly intense reflections	0.0191
Weighted residual factors for significantly intense reflections	0.0386
Weighted residual factors for all reflections included in the refinement	0.039
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7119511.html