Information card for entry 1100692

Structure parameters

• Chemical name: hexapotassium dibismuth diphosphate
• Formula: Bi2 K6 O21 P6
• Calculated formula: Bi2 K6 O21 P6
• Title of publication: Preparation and the Crystal Structure of Non-centrosymmetric K~6~Bi~2~(P~2~O~7~)~3~
• Authors of publication: Falah, Chiraz; Boughzala, Habib; Jouini, Tahar
• Journal of publication: Analytical Sciences: X-ray Structure Analysis Online
• Year of publication: 2004
• Journal volume: 20
• Pages of publication: x17 - x18
• a: 6.985 ± 0.002 Å
• b: 9.045 ± 0.002 Å
• c: 10.256 ± 0.003 Å
• α: 111.87 ± 0.02°
• β: 104.25 ± 0.02°
• γ: 102 ± 0.02°
• Cell volume: 549.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1715
• Weighted residual factors for all reflections included in the refinement: 0.1753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No