Information card for entry 2103019

Structure parameters

• Formula: O5 Sb5 Sm9
• Calculated formula: O5 Sb5 Sm9
• Title of publication: Reticular merohedral twinning within the La~9~Sb~5~O~5~ structure family: structure of Pr~9~Sb~5~O~5~, Sm~9~Sb~5~O~5~ and Dy~9~Sb~5~O~5~
• Authors of publication: Nuss, Jürgen; Jansen, Martin
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: 843 - 849
• a: 10.0341 ± 0.0004 Å
• b: 10.0341 ± 0.0004 Å
• c: 8.9839 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 904.53 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No