Information card for entry 4332147

Structure parameters

• Common name: Zirconium pyrophosphate
• Chemical name: Zirconium pyrophosphate
• Formula: O7 P2 Zr
• Calculated formula: O7 P2 Zr
• Title of publication: The Room-Temperature Superstructure of ZrP2O7Is Orthorhombic: There Are No Unusual 180° P−O−P Bond Angles
• Authors of publication: Birkedal, Henrik; Krogh Andersen, Anne Marie; Arakcheeva, Alla; Chapuis, Gervais; Norby, Poul; Pattison, Philip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4346 - 4351
• a: 24.739 ± 0.0002 Å
• b: 24.71841 ± 0.00019 Å
• c: 24.7431 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15130.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1522
• Weighted residual factors for all reflections included in the refinement: 0.1619
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No