Information card for entry 7208616

Structure parameters

• Formula: O13 P2 Pb V2
• Calculated formula: O13 P2 Pb V2
• Title of publication: Mild hydrothermal synthesis, structure and characterization of the vanadyl phosphate hydrate Pb(VOPO4)2·3H2O: the formation of spin dimers in a three dimensional crystal structure
• Authors of publication: Chen, Yan; Liu, Tao; He, Cheng; Duan, Chunying
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 37
• Pages of publication: 19872
• a: 10.292 ± 0.004 Å
• b: 7.552 ± 0.003 Å
• c: 12.557 ± 0.005 Å
• α: 90°
• β: 90.007 ± 0.004°
• γ: 90°
• Cell volume: 976 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0366
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No