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Information card for entry 2011430
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| Coordinates | 2011430.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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