Information card for entry 2011430

Structure parameters

• Common name: sodium calcium tantalate
• Chemical name: trisodium dicalcium tantalum hexoxide
• Formula: Ca2 Na3 O6 Ta
• Calculated formula: Ca2 Na3 O6 Ta
• SMILES: [Ta+5].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[Ca+2].[Ca+2].[Na+].[Na+].[Na+]
• Title of publication: Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement
• Authors of publication: Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1177 - 1178
• a: 6.5948 ± 0.0017 Å
• b: 9.493 ± 0.003 Å
• c: 19.64 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1229.6 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No