Information card for entry 2212578

Structure parameters

• Chemical name: trisodium dicalcium bismuth hexaoxide
• Formula: Bi Ca2 Na3 O6
• Calculated formula: Bi Ca2 Na3 O6
• SMILES: [Bi]([O-])([O-])([O-])([O-])([O-])[O-].[Ca+2].[Ca+2].[Na+].[Na+].[Na+]
• Title of publication: Trisodium dicalcium bismuth hexaoxide
• Authors of publication: Puzdrjakova, Irina V.; Macquart, René B.; Smith, Mark D.; zur Loye, Hans-Conrad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: i95 - i96
• a: 6.7039 ± 0.0008 Å
• b: 9.6251 ± 0.0011 Å
• c: 19.947 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1287.1 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0126
• Weighted residual factors for significantly intense reflections: 0.0305
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes