Information card for entry 2008697

Structure parameters

• Chemical name: dicalcium disodium tetraniobium tridecaoxide
• Formula: Ca2 Na2 Nb4 O13
• Calculated formula: Ca2.01 Na1.99 Nb4 O13
• Title of publication: A Ruddlesden‒Popper-type layered perovskite, Na~2~Ca~2~Nb~4~O~13~
• Authors of publication: Chiba, Koji; Ishizawa, Nobuo; Oishi, Shuji
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 1041 - 1044
• a: 5.474 ± 0.003 Å
• b: 5.51 ± 0.003 Å
• c: 36.15 ± 0.01 Å
• α: 90 ± 0.009°
• β: 90 ± 0.009°
• γ: 90 ± 0.009°
• Cell volume: 1090.3 ± 0.9 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 36
• Hermann-Mauguin space group symbol: B b 21 m
• Hall space group symbol: B -2 -2b
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.026
• Goodness-of-fit parameter for all reflections: 1.993
• Goodness-of-fit parameter for significantly intense reflections: 1.993
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No