Information card for entry 2310794

Structure parameters

• Common name: zinc pyrophosphate
• Chemical name: zinc(II) diphosphate(V)
• Formula: O7 P2 Zn2
• Calculated formula: O7 P2 Zn2
• Title of publication: The α ↔ β phase transitions of Zn2P2O7 revisited: existence of an additional intermediate phase with an incommensurately modulated structure.
• Authors of publication: Stöger, Berthold; Weil, Matthias; Dušek, Michal
• Journal of publication: Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 539 - 554
• a: 6.6011 ± 0.0002 Å
• b: 8.2839 ± 0.0003 Å
• c: 4.5266 ± 0.0002 Å
• α: 90°
• β: 105.387 ± 0.0017°
• γ: 90°
• Cell volume: 238.655 ± 0.016 ų
• Cell temperature: 450 K
• Ambient diffraction temperature: 450 K
• Number of distinct elements: 3
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.1015
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0475
• Goodness-of-fit parameter for significantly intense reflections: 1.97
• Goodness-of-fit parameter for all reflections included in the refinement: 1.22
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No