Crystallography Open Database

Information card for entry 4516099

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Coordinates	4516099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cs2 Hg2 Sb2 Se6
Calculated formula	Cs2 Hg2 Sb2 Se6
Title of publication	Two Mercury Antimony Chalcogenides Cs<sub>2</sub>HgSb<sub>4</sub>S<sub>8</sub> and Cs<sub>2</sub>Hg<sub>2</sub>Sb<sub>2</sub>Se<sub>6</sub> with Cesium Cations as Counterions.
Authors of publication	Du, Cui-Xia; Qi, Fei-Yan; Chen, Juan; Baiyin, Menghe
Journal of publication	ACS omega
Year of publication	2018
Journal volume	3
Journal issue	11
Pages of publication	15168 - 15173
a	8.029 ± 0.005 Å
b	8.869 ± 0.005 Å
c	12.091 ± 0.007 Å
α	68.492 ± 0.009°
β	84.217 ± 0.009°
γ	74.128 ± 0.01°
Cell volume	770.5 ± 0.8 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1921
Residual factor for significantly intense reflections	0.1082
Weighted residual factors for significantly intense reflections	0.3217
Weighted residual factors for all reflections included in the refinement	0.3627
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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