Information card for entry 4321636

Structure parameters

• Formula: As Hg3 I Se4
• Calculated formula: As Hg3 I Se4
• 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: 7.6902 ± 0.0007 Å
• b: 7.6902 ± 0.0007 Å
• c: 9.9675 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 510.5 ± 0.08 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: 0.0327
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for all reflections: 0.1052
• Weighted residual factors for significantly intense reflections: 0.1046
• Goodness-of-fit parameter for all reflections: 1.435
• Goodness-of-fit parameter for significantly intense reflections: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No