Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2107521
Preview
| Coordinates | 2107521.cif |
|---|---|
| Structure factors | 2107521.hkl |
| Original IUCr paper | HTML |
| Formula | O3 Pb Ti |
|---|---|
| Calculated formula | O3 Pb Ti |
| Title of publication | High-temperature single-crystal X-ray diffraction study of tetragonal and cubic perovskite-type PbTiO~3~ phases |
| Authors of publication | Yoshiasa, Akira; Nakatani, Tomotaka; Nakatsuka, Akihiko; Okube, Maki; Sugiyama, Kazumasa; Mashimo, Tsutomu |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 381 - 388 |
| a | 3.8992 ± 0.0004 Å |
| b | 3.8992 ± 0.0004 Å |
| c | 4.1499 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 63.094 ± 0.013 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 3 |
| Space group number | 99 |
| Hermann-Mauguin space group symbol | P 4 m m |
| Hall space group symbol | P 4 -2 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for all reflections included in the refinement | 0.0431 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.751 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 183115 (current) | 2016-05-28 | cif/ hkl/ Adding structures of 2107521, 2107522, 2107523, 2107524, 2107525, 2107526, 2107527, 2107528, 2107529, 2107530, 2107531, 2107532, 2107533, 2107534 via cif-deposit CGI script. |
2107521.cif 2107521.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.