Information card for entry 2108738

Structure parameters

• Formula: Ag3.02 O12 P3 Sc2
• Calculated formula: Ag3.0198 O12 P3 Sc2
• Title of publication: Study on the structural phase transitions in NaSICON-type compounds using Ag~3~Sc~2~(PO~4~)~3~ as a model system
• Authors of publication: Redhammer, Günther J.; Tippelt, Gerold; Stahl, Quirin; Benisek, Artur; Rettenwander, Daniel
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 1
• Pages of publication: 10 - 22
• a: 8.9671 ± 0.0008 Å
• b: 8.9671 ± 0.0008 Å
• c: 22.7622 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1585.1 ± 0.2 ų
• Cell temperature: 520 ± 1 K
• Ambient diffraction temperature: 520 ± 1 K
• Number of distinct elements: 4
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes