Information card for entry 4321634

Structure parameters

• Formula: As2 Br2 Hg6 S8
• Calculated formula: As2 Br2 Hg6 S8
• Title of publication: Hg3AsE4X (E = S, Se; X = Cl, Br, I), a Family of Isotypic Compounds with an Acentric, Layered Structure
• Authors of publication: Johannes Beck; Sylvia Hedderich; Klaus Köllisch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 5847 - 5850
• a: 7.43 ± 0.003 Å
• b: 7.43 ± 0.003 Å
• c: 9.364 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 447.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 186
• Hermann-Mauguin space group symbol: P 63 m c
• Hall space group symbol: P 6c -2c
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.0948
• Goodness-of-fit parameter for all reflections: 1.176
• Goodness-of-fit parameter for significantly intense reflections: 1.196
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No