N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Cr |
2 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Cr |
3 | 0.3132 | 0.8508 | 0.1787 | 0.0000 | Mg=0.9200, Fe=0.0800 |
4 | 0.7716 | 0.8201 | 0.1500 | 0.0000 | Mg=0.9400, Fe=0.0600 |
5 | 0.0933 | 0.9381 | 0.0600 | 0.0000 | Mg=0.9600, Fe=0.0400 |
6 | 0.5957 | 0.9410 | 0.0610 | 0.0000 | Mg=0.9800, Fe=0.0200 |
7 | 0.9943 | 0.7380 | 0.2629 | 0.0000 | Cr |
8 | 0.2093 | 0.6300 | 0.3901 | 0.0000 | Na |
9 | 0.6605 | 0.6116 | 0.3737 | 0.0000 | Na |
10 | 0.4759 | 0.2339 | 0.3334 | 0.0000 | Si |
11 | 0.9820 | 0.2297 | 0.3399 | 0.0000 | Si |
12 | 0.7877 | 0.3370 | 0.2369 | 0.0000 | Si |
13 | 0.2770 | 0.3393 | 0.2236 | 0.0000 | Si |
14 | 0.6475 | 0.9479 | 0.4408 | 0.0000 | Si |
15 | 0.3555 | 0.5609 | 0.0453 | 0.0000 | Si |
16 | 0.3542 | 0.0661 | 0.1665 | 0.0000 | O |
17 | 0.8541 | 0.0633 | 0.1693 | 0.0000 | O |
18 | 0.5555 | 0.9570 | 0.2892 | 0.0000 | O |
19 | 0.0180 | 0.9331 | 0.2751 | 0.0000 | O |
20 | 0.2411 | 0.8752 | 0.3942 | 0.0000 | O |
21 | 0.7576 | 0.8868 | 0.3875 | 0.0000 | O |
22 | 0.4957 | 0.1983 | 0.4997 | 0.0000 | O |
23 | 0.9582 | 0.7855 | 0.4917 | 0.0000 | O |
24 | 0.8928 | 0.3179 | 0.3729 | 0.0000 | O |
25 | 0.4042 | 0.3385 | 0.3553 | 0.0000 | O |
26 | 0.6572 | 0.1691 | 0.0665 | 0.0000 | O |
27 | 0.1544 | 0.1664 | 0.0614 | 0.0000 | O |
28 | 0.5297 | 0.7138 | 0.0338 | 0.0000 | O |
29 | 0.0590 | 0.7238 | 0.0671 | 0.0000 | O |
30 | 0.2436 | 0.6122 | 0.1103 | 0.0000 | O |
31 | 0.7501 | 0.6058 | 0.1319 | 0.0000 | O |
32 | 0.4012 | 0.5035 | 0.1899 | 0.0000 | O |
33 | 0.9364 | 0.5062 | 0.2147 | 0.0000 | O |
34 | 0.1623 | 0.3663 | 0.3180 | 0.0000 | O |
35 | 0.6708 | 0.3640 | 0.3339 | 0.0000 | O |