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Information card for entry 4000724
Preview
| Coordinates | 4000724.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | PX phase of lead titanate |
|---|---|
| Formula | O3 Pb Ti |
| Calculated formula | O3 Pb Ti |
| Title of publication | Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate |
| Authors of publication | Wang, Jin; Schenk, Kurt; Carvalho, Alexandra; Eerd, Ben Wylie-van; Trodahl, Joe; Sandu, Cosmin S.; Bonin, Michel; Gregora, Ivan; He, Zhanbing; Yamada, Tomoaki; Funakubo, Hiroshi; Briddon, Patrick R.; Setter, Nava |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 10 |
| Pages of publication | 2529 |
| a | 12.3853 ± 0.0001 Å |
| b | 12.3853 ± 0.0001 Å |
| c | 3.82 ± 0.00004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 585.971 ± 0.009 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.0188 |
| Residual factor for significantly intense reflections | 0.0188 |
| Weighted residual factors for significantly intense reflections | 0.0277 |
| Weighted residual factors for all reflections included in the refinement | 0.0277 |
| Method of determination | powder diffraction |
| Diffraction radiation wavelength | 0.498358 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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