Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2022224
Preview
| Coordinates | 2022224.cif |
|---|---|
| Structure factors | 2022224.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibarium zinc diphosphide |
|---|---|
| Formula | Ba2 P2 Zn |
| Calculated formula | Ba2 P2 Zn |
| SMILES | [Ba+2].[Ba+2].[Zn+2].[P-3].[P-3] |
| Title of publication | Synthesis, structural characterization, and electronic structure of the novel Zintl phase Ba~2~ZnP~2~ |
| Authors of publication | Balvanz, Adam; Baranets, Sviatoslav; Bobev, Svilen |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 9 |
| a | 6.756 ± 0.004 Å |
| b | 13.108 ± 0.008 Å |
| c | 6.385 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 565.4 ± 0.6 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 3 |
| Space group number | 72 |
| Hermann-Mauguin space group symbol | I b a m |
| Hall space group symbol | -I 2 2c |
| Residual factor for all reflections | 0.0216 |
| Residual factor for significantly intense reflections | 0.0177 |
| Weighted residual factors for significantly intense reflections | 0.0357 |
| Weighted residual factors for all reflections included in the refinement | 0.0366 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255237 (current) | 2020-08-11 | cif/ hkl/ Adding structures of 2022224 via cif-deposit CGI script. |
2022224.cif 2022224.hkl |
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.