Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2109072
Preview
| Coordinates | 2109072.cif |
|---|---|
| Structure factors | 2109072.hkl |
| Original paper (by DOI) | HTML |
| Formula | Hf O3 Pb |
|---|---|
| Calculated formula | Hf O3 Pb |
| Title of publication | Incommensurate crystal structure of PbHfO~3~ |
| Authors of publication | Bosak, Alexei; Svitlyk, Volodymyr; Arakcheeva, Alla; Burkovsky, Roman; Diadkin, Vadim; Roleder, Krystian; Chernyshov, Dmitry |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 1 |
| Pages of publication | 7 - 12 |
| a | 5.8522 ± 0.0008 Å |
| b | 8.236 ± 0.003 Å |
| c | 5.867 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 282.8 ± 0.3 Å3 |
| Cell temperature | 443 K |
| Ambient diffraction temperature | 443 K |
| Number of distinct elements | 3 |
| Space group number | 74 |
| Hermann-Mauguin space group symbol | I m m a |
| Hall space group symbol | -I 2b 2 |
| Residual factor for all reflections | 0.0456 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1305 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for significantly intense reflections | 4.4 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.69 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.77865 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278858 (current) | 2022-10-28 | cif/ hkl/ Adding structures of 2109072 via cif-deposit CGI script. |
2109072.cif 2109072.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.