Information card for entry 7063562

Structure parameters

• Common name: phosphate
• Chemical name: potassium scandium phosphate hydrated
• Formula: K O8 P2 Sc
• Calculated formula: K O8 P2 Sc
• Title of publication: Hydrated and fluorinated potassium scandium phosphates: topology symmetry analysis and structure prediction
• Authors of publication: Topnikova, Anastasia P.; Belokoneva, Elena L.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Viktor V.; Zorina, Leokadiya V.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 48
• Pages of publication: 20375 - 20383
• a: 5.4366 ± 0.0003 Å
• b: 8.4565 ± 0.0004 Å
• c: 14.4529 ± 0.0008 Å
• α: 90°
• β: 90.185 ± 0.004°
• γ: 90°
• Cell volume: 664.46 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0682
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No