Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7707675
Preview
| Coordinates | 7707675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba0.88 Na1.25 P5 Si3 |
|---|---|
| Calculated formula | Ba0.8728 Na1.25367 P5 Si3 |
| 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 | 7.1678 ± 0.0002 Å |
| b | 34.073 ± 0.0008 Å |
| c | 11.089 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2708.25 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0278 |
| Weighted residual factors for significantly intense reflections | 0.0665 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7707675.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.