Information card for entry 4328966

Structure parameters

• Formula: Cl5 Hg7 In S6
• Calculated formula: Cl5 Hg7 In S6
• Title of publication: Synthesis, Crystal Structure, and Optical Properties of a Three-Dimensional Quaternary Hg-In-S-Cl Chalcohalide: Hg7InS6Cl5
• Authors of publication: Yi Liu; Fengxia Wei; Sing Ning Yeo; Fu Min Lee; Christian Kloc; Qingyu Yan; Huey Hoon Hng; Jan Ma; Qichun Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4414 - 4416
• a: 7.3743 ± 0.0005 Å
• b: 10.452 ± 0.0008 Å
• c: 13.7521 ± 0.0011 Å
• α: 109.415 ± 0.003°
• β: 105.264 ± 0.003°
• γ: 93.746 ± 0.003°
• Cell volume: 950.71 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0268
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No