Information card for entry 2013128

Structure parameters

• Formula: Ca4 Na Nb5 O17
• Calculated formula: Ca4 Na Nb5 O17
• Title of publication: NaCa~4~Nb~5~O~17~: a layered perovskite <i>A</i>~<i>n~</i><i>B</i>~<i>n~</i>O~3<i>n~+2</i> compound
• Authors of publication: Zúñiga, F. J.; Darriet, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: i18 - i20
• a: 7.71 ± 0.002 Å
• b: 32.35 ± 0.005 Å
• c: 5.4838 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 96.82 ± 0.013°
• Cell volume: 1358.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/b
• Hall space group symbol: -P 2bc
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes