Information card for entry 4318323

Structure parameters

• Formula: H2 Hg3.87 O10.77 P2 V
• Calculated formula: Hg3.8681 O10.773 P2 V
• Title of publication: New Mercury Vanadium Phosphate Hydrate Hg4-xO1-y(VO)(PO4)2.H2O with Unprecedented Tetrahedral Oxo-Cluster [Hg~4O~5]
• Authors of publication: E. Le Fur; R. Gautier; E. Furet; J. Y. Pivan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4227 - 4231
• a: 6.3632 ± 0.0002 Å
• b: 12.4155 ± 0.0005 Å
• c: 14.2292 ± 0.0006 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1124.14 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.298
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No