Information card for entry 4510598

Structure parameters

• Formula: Bi6 Cl10 O12 Se4
• Calculated formula: Bi6 Cl10 O12 Se4
• Title of publication: Revised Bismuth Chloroselenite System: Evidence of a Noncentrosymmmetric Structure with a Giant Unit Cell
• Authors of publication: Aliev, Almaz; Kovrugin, V. M.; Colmont, Marie; Terryn, Christine; Huvé, Marielle; Siidra, O. I.; Krivovichev, S. V.; Mentré, Olivier
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 3026
• a: 21.46 ± 0.002 Å
• b: 8.4012 ± 0.0009 Å
• c: 15.337 ± 0.0018 Å
• α: 90°
• β: 110.639 ± 0.005°
• γ: 90°
• Cell volume: 2587.6 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for significantly intense reflections: 1.46
• Goodness-of-fit parameter for all reflections included in the refinement: 1.76
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No