N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2552 | 0.1318 | 0.0683 | 0.0000 | Ce=0.9400, La=0.0600 |
2 | 0.1435 | 0.2621 | 0.4329 | 0.0000 | Ce=0.8900, La=0.1100 |
3 | 0.2592 | 0.1357 | 0.1762 | 0.0000 | Ce=0.8790, La=0.1210 |
4 | 0.3164 | 0.1471 | 0.3641 | 0.0000 | Si |
5 | 0.2653 | 0.0907 | 0.3232 | 0.0000 | O |
6 | 0.2764 | 0.0034 | 0.3871 | 0.0000 | O |
7 | 0.2578 | 0.2478 | 0.3796 | 0.0000 | O |
8 | 0.0857 | 0.1785 | 0.0334 | 0.0000 | O |
9 | 0.1499 | 0.3255 | 0.1376 | 0.0000 | Si |
10 | 0.2415 | 0.2645 | 0.1177 | 0.0000 | O |
11 | 0.9860 | 0.2640 | 0.1236 | 0.0000 | O |
12 | 0.1682 | 0.0743 | 0.4655 | 0.0000 | O |
13 | 0.1396 | 0.2824 | 0.1788 | 0.0000 | O |
14 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mg |
15 | 0.0000 | 0.0000 | 0.2524 | 0.0000 | Si=0.8620 |
16 | 0.1602 | 0.0392 | 0.2398 | 0.0000 | O |
17 | 0.0000 | 0.0000 | 0.2967 | 0.0000 | OH=0.8660 |
18 | 0.0000 | 0.0000 | 0.0638 | 0.0000 | OH=0.0370 |
19 | 0.0000 | 0.0000 | 0.0900 | 0.0000 | OH |
20 | 0.0000 | 0.0000 | 0.1633 | 0.0000 | OH=0.9360 |
21 | 0.0000 | 0.0000 | 0.3444 | 0.0000 | Ca=0.1690 |
22 | 0.0000 | 0.0000 | 0.4090 | 0.0000 | OH |