Information card for entry 1566262

Structure parameters

• Formula: C3 H10.492 Ca Na2 O16.246 U
• Calculated formula: C3 Ca Na2 O16.3333 U
• SMILES: C1(=O)O[U]23(=O)(=O)(OC(=O)O2)(O1)OC(=O)O3.O.[Ca+2].[Na+].O.O.O.O.[Na+].O
• Title of publication: A note on the molecular water content in uranyl carbonate mineral andersonite
• Authors of publication: Jakub Plasil; Jiri Cejka
• Journal of publication: Journal of GeoSciences
• Year of publication: 2015
• Journal volume: 60
• Pages of publication: 181 - 187
• a: 17.8589 ± 0.0006 Å
• b: 17.8589 ± 0.0006 Å
• c: 23.6935 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6544.4 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for significantly intense reflections: 1.18
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No