Information card for entry 2310787

Structure parameters

• 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: 20.1131 ± 0.0013 Å
• b: 8.2769 ± 0.0006 Å
• c: 9.109 ± 0.003 Å
• α: 90°
• β: 106.338 ± 0.016°
• γ: 90°
• Cell volume: 1455.2 ± 0.5 ų
• Cell temperature: 350 K
• Ambient diffraction temperature: 350 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0198
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0222
• Weighted residual factors for all reflections included in the refinement: 0.0229
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Goodness-of-fit parameter for all reflections included in the refinement: 1.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No