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Information card for entry 2107531
Preview
| Coordinates | 2107531.cif |
|---|---|
| Structure factors | 2107531.hkl |
| Original paper (by DOI) | 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 | 3.9646 ± 0.0009 Å |
| b | 3.9646 ± 0.0009 Å |
| c | 3.9646 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 62.32 ± 0.02 Å3 |
| Cell temperature | 773 K |
| Ambient diffraction temperature | 773 K |
| Number of distinct elements | 3 |
| Space group number | 221 |
| Hermann-Mauguin space group symbol | P m -3 m |
| Hall space group symbol | -P 4 2 3 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for all reflections included in the refinement | 0.0317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.6135 |
| 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. |
2107531.cif 2107531.hkl |
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Users of the data should acknowledge the original authors of the
structural data.