Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2108456
Preview
| Coordinates | 2108456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | O2 Zr |
|---|---|
| Calculated formula | O2 Zr |
| Title of publication | Structure change of monoclinic ZrO~2~ baddeleyite involving softenings of bulk modulus and atom vibrations |
| Authors of publication | Fukui, Hiroshi; Fujimoto, Manato; Akahama, Yuichi; Sano-Furukawa, Asami; Hattori, Takanori |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| a | 5.059 ± 0.00033 Å |
| b | 5.2097 ± 0.0004 Å |
| c | 5.1763 ± 0.0004 Å |
| α | 90° |
| β | 98.276 ± 0.006° |
| γ | 90° |
| Cell volume | 135.005 ± 0.017 Å3 |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| RFsqd | 0.09108 |
| Goodness-of-fit parameter for all reflections | 1.52 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217345 (current) | 2019-08-01 | cif/ Adding structures of 2108450, 2108451, 2108452, 2108453, 2108454, 2108455, 2108456 via cif-deposit CGI script. |
2108456.cif |
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.