Information card for entry 7063563

Structure parameters

• Common name: phosphate
• Chemical name: potassium scandium phosphate hydrated
• Formula: K0.5 O4 P Sc0.5
• Calculated formula: K0.5 O4 P Sc0.5
• 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
• a: 14.5271 ± 0.0006 Å
• b: 8.4948 ± 0.0003 Å
• c: 5.4375 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 671.01 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No