Crystallography Open Database

Information card for entry 4004025

Preview

Coordinates	4004025.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Hg3 P2 S8
Calculated formula	Hg3 P2 S8
Title of publication	Hg3P2S8: A New Promising Infrared Nonlinear Optical Material with a Large Second-Harmonic Generation and a High Laser-Induced Damage Threshold
Authors of publication	Chu, Yu; Wang, Peng; Zeng, Hao; Cheng, Shichao; Su, Xin; Yang, Zhihua; Li, Junjie; Pan, Shilie
Journal of publication	Chemistry of Materials
Year of publication	2021
Journal volume	33
Journal issue	16
Pages of publication	6514 - 6521
a	16.52 ± 0.02 Å
b	8.223 ± 0.01 Å
c	9.293 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	1262 ± 3 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	41
Hermann-Mauguin space group symbol	A e a 2
Hall space group symbol	A 2 -2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0682
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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/4004025.html