Information card for entry 2228584

Structure parameters

• Chemical name: Dibarium diphosphate
• Formula: Ba2 O7 P2
• Calculated formula: Ba2 O7 P2
• SMILES: [Ba+2].[Ba+2].[O-]P(=O)(OP(=O)([O-])[O-])[O-]
• Title of publication: Hydrothermally synthesized α-Ba~2~P~2~O~7~
• Authors of publication: Heyward, Carla; Mann, Matthew; Kolis, Joseph
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: i84
• a: 9.2842 ± 0.0019 Å
• b: 5.6113 ± 0.0011 Å
• c: 13.796 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 718.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes