Information card for entry 2108804

Structure parameters

• Formula: As0.195 O21 P0.805 Pb2 U3
• Calculated formula: As1.194 O21 P0.806 Pb2 U3
• Title of publication: Crystal structure of the uranyl arsenate mineral hügelite, Pb~2~(UO~2~)~3~O~2~(AsO~4~)~2~(H~2~O)~5~, revisited: a correct unit cell, twinning and hydrogen bonding
• Authors of publication: Plášil, Jakub; Petříček, Václav; Škácha, Pavel
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 3
• a: 7.0189 ± 0.0007 Å
• b: 17.137 ± 0.001 Å
• c: 8.131 ± 0.001 Å
• α: 90°
• β: 108.9 ± 0.01°
• γ: 90°
• Cell volume: 925.29 ± 0.17 ų
• Cell temperature: 296.8 K
• Ambient diffraction temperature: 296.8 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1591
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2263
• Goodness-of-fit parameter for significantly intense reflections: 1.6968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.49
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No