Information card for entry 2017102

Structure parameters

• Chemical name: Potassium scandium niobate hydroxide
• Formula: H1.75 K3 Nb2.13 O9 Sc0.88
• Calculated formula: H1.74 K3 Nb2.13 O9 Sc0.88
• Title of publication: K~3~(Sc~0.875~Nb~0.125~)Nb~2~O~9~H~1.75~: a new scandium niobate with a unique cage structure
• Authors of publication: Mann, Matthew; Kolis, Joseph; VanDerveer, Don
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: i27 - i29
• a: 5.8416 ± 0.0015 Å
• b: 5.8416 ± 0.0015 Å
• c: 14.604 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 431.6 ± 0.2 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 ± 0.02 K
• Number of distinct elements: 5
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes