Information card for entry 4342099

Structure parameters

• Formula: H21 Mo10 O48 P V2
• Calculated formula: Mo9.9996 O48 P V2.0004
• Title of publication: Solid-State Crystal-to-Crystal Phase Transitions and Reversible Structure-Temperature Behavior of Phosphovanadomolybdic Acid, H5PV2Mo10O40.
• Authors of publication: Barats-Damatov, Delina; Shimon, Linda J. W.; Feldman, Yishay; Bendikov, Tatyana; Neumann, Ronny
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 628 - 634
• a: 9.758 ± 0.0004 Å
• b: 9.7627 ± 0.0006 Å
• c: 9.8748 ± 0.0005 Å
• α: 88.062 ± 0.003°
• β: 88.477 ± 0.004°
• γ: 89.832 ± 0.004°
• Cell volume: 939.84 ± 0.08 ų
• Cell temperature: 313 ± 2 K
• Ambient diffraction temperature: 313 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1196
• Residual factor for significantly intense reflections: 0.0859
• Weighted residual factors for significantly intense reflections: 0.2417
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No