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Information card for entry 7707676
Preview
| Coordinates | 7707676.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba5 Na31 P83 Si52 |
|---|---|
| Calculated formula | Ba5 Na30.998 P83 Si52 |
| Title of publication | Supertetrahedral anions in the phosphidosilicates Na<sub>1.25</sub>Ba<sub>0.875</sub>Si<sub>3</sub>P<sub>5</sub> and Na<sub>31</sub>Ba<sub>5</sub>Si<sub>52</sub>P<sub>83</sub>. |
| Authors of publication | Haffner, Arthur; Zeman, Otto E. O.; Bräuniger, Thomas; Johrendt, Dirk |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 26 |
| Pages of publication | 9123 - 9128 |
| a | 21.2704 ± 0.0004 Å |
| b | 30.6728 ± 0.0006 Å |
| c | 25.3238 ± 0.0005 Å |
| α | 90° |
| β | 113.502 ± 0.001° |
| γ | 90° |
| Cell volume | 15151.3 ± 0.5 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.1017 |
| Weighted residual factors for all reflections included in the refinement | 0.109 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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