Information card for entry 4001503

Structure parameters

• Formula: H K0.75 Na0.25 Np O6.5 S
• Calculated formula: H K0.75 Na0.25 Np O6.5 S
• Title of publication: Crystal Structures and Magnetic Properties of NaK3(NpO2)4(SO4)4(H2O)2and NaNpO2SO4H2O: Cation−Cation Interactions in a Neptunyl Sulfate Framework
• Authors of publication: Forbes, Tori Z.; Burns, Peter. C.; Soderholm, L.; Skanthakumar, S.
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 6
• Pages of publication: 1643
• a: 18.0998 ± 0.0012 Å
• b: 5.703 ± 0.0004 Å
• c: 23.1988 ± 0.0016 Å
• α: 90°
• β: 104.633 ± 0.001°
• γ: 90°
• Cell volume: 2317 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No