Crystallography Open Database

Information card for entry 7712653

Preview

Coordinates	7712653.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CsHg4Ga5S12
Formula	Cs Ga5 Hg4 S12
Calculated formula	Cs Ga4.9998 Hg3.9996 S12
Title of publication	Open Honeycomb Frameworks of Sulphides AHg4Ga5S12 (A = Rb, Cs) Exhibiting Infrared Nonlinear Optical Properties
Authors of publication	Lou, Xiao-Yu; Zhou, Yu; Chen, Wen-Fa; Jiang, Xiao-Ming; Liu, Bin-Wen; Guo, Guo-Cong
Journal of publication	Dalton Transactions
Year of publication	2023
a	13.8428 ± 0.0005 Å
b	13.8428 ± 0.0005 Å
c	9.3913 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	1558.49 ± 0.13 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.0301
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0643
Weighted residual factors for all reflections included in the refinement	0.0647
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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