Information card for entry 2228080

Structure parameters

• Common name: Ba2P2O7
• Chemical name: dibarium diphosphate
• Formula: Ba2 O7 P2
• Calculated formula: Ba2 O7 P2
• SMILES: [Ba+2].[Ba+2].P(=O)(OP(=O)([O-])[O-])([O-])[O-]
• Title of publication: α-Ba~2~P~2~O~7~
• Authors of publication: Zakaria, Driss; Erragh, Fatima; Oudahmane, Abdelghani; El-Ghozzi, Malika; Avignant, Daniel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: i76 - i77
• a: 9.2875 ± 0.0001 Å
• b: 5.6139 ± 0.0001 Å
• c: 13.8064 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 719.853 ± 0.016 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes