Information card for entry 1562708

Structure parameters

• Formula: Bi9 Br O18 P2
• Calculated formula: Bi9 Br O18 P2
• Title of publication: Novel bismuth oxophosphate halides [Bi8O8][BiO2](PO4)2X (X=Cl, Br) based on oxocentered 2D blocks and their relationships to the Aurivillius phases
• Authors of publication: Kozin, Michael S.; Aliev, Almaz; Colmont, Marie; Mentré, Olivier; Siidra, Oleg I.; Krivovichev, Sergey V.
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 199
• Pages of publication: 56 - 61
• a: 18.076 ± 0.002 Å
• b: 5.4223 ± 0.0007 Å
• c: 22.867 ± 0.002 Å
• α: 90°
• β: 125.587 ± 0.007°
• γ: 90°
• Cell volume: 1822.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.064
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No