| ╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
|---|---|---|---|---|---|
| 1 | 0.0000 | 0.7550 | 0.1510 | 0.0000 | Ca |
| 2 | 0.8220 | 0.5000 | 0.0000 | 0.0000 | Si |
| 3 | 0.5000 | 0.2500 | 0.1305 | 0.0000 | Si |
| 4 | 0.2170 | 0.0000 | 0.0000 | 0.0000 | Al |
| 5 | 0.0080 | 0.2590 | 0.2500 | 0.0000 | Al |
| 6 | 0.0270 | 0.7350 | 0.0180 | 0.0000 | O |
| 7 | 0.6440 | 0.4520 | 0.0760 | 0.0000 | O |
| 8 | 0.3800 | 0.0300 | 0.0800 | 0.0000 | O |
| 9 | 0.2500 | 0.3840 | 0.1770 | 0.0000 | O |
| 10 | 0.7630 | 0.1260 | 0.1770 | 0.0000 | O |
| 11 | 0.2200 | 0.9500 | 0.2500 | 0.0000 | OH |
| 12 | 0.7850 | 0.5650 | 0.2500 | 0.0000 | OH |