Crystallography Open Database

Information card for entry 7705259

Preview

Coordinates	7705259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	As2 Ba4 Hg S10
Calculated formula	As2 Ba4 Hg S10
Title of publication	New quaternary chalcogenide Ba<sub>4</sub>HgAs<sub>2</sub>S<sub>10</sub> originating from the combination of linear [HgS<sub>2</sub>]<sup>2-</sup> and tetrahedral [AsS<sub>4</sub>]<sup>3-</sup> modules.
Authors of publication	Xing, Wenhao; Wang, Naizheng; Li, Zhuang; Liu, Wenhao; Tang, Jian; Yin, Wenlong; Lin, Zheshuai; Kang, Bin; Yao, Jiyong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	37
Pages of publication	13060 - 13065
a	22.7787 ± 0.0006 Å
b	6.4712 ± 0.0002 Å
c	25.0606 ± 0.0007 Å
α	90°
β	90.101 ± 0.002°
γ	90°
Cell volume	3694.07 ± 0.18 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0193
Residual factor for significantly intense reflections	0.0181
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.0439
Goodness-of-fit parameter for all reflections included in the refinement	1.154
Diffraction radiation probe	x-ray
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
257513 (current)	2020-10-06	cif/ Updating files of 7705259 Original log message: Adding full bibliography for 7705259.cif.	7705259.cif
255616	2020-08-25	cif/ Adding structures of 7705259 via cif-deposit CGI script.	7705259.cif