Crystal structural data and atomic coordinates of CLSO:3%Ce3+ as a result of Rietveld refinement.
| Crystallographic data of CLSO:3%Ce3+ | Atomic coordinates and site occupancy fraction | |||||
|---|---|---|---|---|---|---|
| Atom | x | y | z | SOF | ||
| Space group | P63/m | La1 | 0.3333 | 0.6666 | 0.0038 (1) | 0.4902 (1) |
| a/Å | 9.6505 (1) | Ca1 | 0.3333 | 0.6666 | 0.0038 (1) | 0.4757 |
| b/Å | 9.6505 (1) | La2 | 0.2449 (1) | 0.0151 (1) | 0.2500 | 0.9532 (1) |
| c/Å | 7.1460 (1) | Ca2 | 0.2449 (1) | 0.0151 (1) | 0.2500 | 0.0142 |
| α/deg | 90 | Si1 | 0.3785 (1) | 0.4069 (1) | 0.2500 | 1 |
| β/deg | 90 | O1 | 0.4697 (4) | 0.5958 (4) | 0.2500 | 1 |
| γ/deg | 120 | O2 | 0.4954 (4) | 0.3242 (4) | 0.2500 | 1 |
| V/Å3 | 576.5260 (3) | O3 | 0.2594 (3) | 0.3464 (5) | 0.0692 (4) | 1 |
| R p/% | 10.94 | O4 | 0.0000 | 0.0000 | 0.2500 | 1 |
| R wp/% | 12.11 | Ce1 | 0.3333 | 0.6666 | 0.0038 (1) | 0.0341 |
| χ 2 | 3.395 | Ce2 | 0.2449 (1) | 0.0151 (1) | 0.2500 | 0.0326 |