Information card for entry 4510600

Structure parameters

• Formula: Bi10 Cl8 O36 Pb Se12
• Calculated formula: Bi10 Cl8 O36 Pb Se12
• 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: 15.819 ± 0.006 Å
• b: 17.871 ± 0.007 Å
• c: 15.857 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4483 ± 3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 68
• Hermann-Mauguin space group symbol: C c c b :1
• Hall space group symbol: C 2 2 -1ac
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for significantly intense reflections: 0.84
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No