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Information card for entry 2300743
Preview
| Coordinates | 2300743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Perovskite |
|---|---|
| Chemical name | Lead Calcium Titanate |
| Formula | Ca0.45 O3 Pb0.55 Ti |
| Calculated formula | Ca0.45 O3 Pb0.55 Ti |
| Title of publication | Polar orientation and extension in a novel crystallographic model for PbTiO3-based perovskites explaining the experimental ferroelectric thermal anomalies |
| Authors of publication | Estrada, Flávia Regina; Moreno-Gobbi, Ariel; Damjanovic, Dragan; Garcia, Ducinei |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2024 |
| Journal volume | 57 |
| Journal issue | 3 |
| Pages of publication | 808 - 817 |
| a | 7.777666 ± 0.000014 Å |
| b | 5.518537 ± 0.000014 Å |
| c | 5.527827 ± 0.000017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 237.262 ± 0.001 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Ambient diffracton pressure | 100 kPa |
| Number of distinct elements | 4 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Weighted residual factors for significantly intense reflections | 0.05438 |
| RFsqd | 0.09423 |
| Goodness-of-fit parameter for all reflections | 0.875 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.03211 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292161 (current) | 2024-06-01 | cif/ Adding structures of 2300743 via cif-deposit CGI script. |
2300743.cif |
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