Information card for entry 7122994

Structure parameters

• Formula: Al2 H12 O12 P6
• Calculated formula: Al2 H12 O12 P6
• Title of publication: Polymorphism in M(H2PO2)3 (M = V, Al, Ga) compounds with the perovskite-related ReO3 structure.
• Authors of publication: Evans, Hayden; Deng, Zeyu; Collings, Ines; Wu, Yue; Andrews, Jessica L.; Pilar, Kartik; Tuffnell, Joshua Mark; Wu, Guang; Wang, John; Dutton, S. E. E.; Bristowe, Paul; Seshadri, Ram; Cheetham, Anthony K.
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 11.2333 ± 0.0007 Å
• b: 11.5158 ± 0.0006 Å
• c: 11.367 ± 0.0005 Å
• α: 90°
• β: 98.32 ± 0.004°
• γ: 90°
• Cell volume: 1454.96 ± 0.14 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No