Information card for entry 7705259

Structure parameters

• Formula: As2 Ba4 Hg S10
• Calculated formula: As2 Ba4 Hg S10
• Title of publication: New quaternary chalcogenide Ba₄HgAs₂S₁₀ originating from the combination of linear [HgS₂]^2- and tetrahedral [AsS₄]^3- 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 ų
• 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 Fobs: No