Information card for entry 7122998

Structure parameters

• Formula: H6 O6 P3 V
• Calculated formula: H6 O6 P3 V
• 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: 11.922 ± 0.008 Å
• b: 7.542 ± 0.006 Å
• c: 8.86 ± 0.006 Å
• α: 90°
• β: 106.29 ± 0.02°
• γ: 90°
• Cell volume: 764.7 ± 1 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.233
• Residual factor for significantly intense reflections: 0.1509
• Weighted residual factors for significantly intense reflections: 0.3856
• Weighted residual factors for all reflections included in the refinement: 0.4204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No