N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.6624 | 0.1674 | 0.0827 | 0.7300 | Fe=0.2100, Al=0.7900 |
2 | 0.0000 | 0.0000 | 0.0000 | 0.5300 | Al=0.5000 |
3 | 0.0068 | 0.0020 | 0.2564 | 0.4400 | Al |
4 | 0.0000 | 0.0000 | 0.5000 | 0.4000 | Al=0.5000 |
5 | 0.5000 | 0.5000 | 0.0000 | 0.4900 | Al=0.5000 |
6 | 0.5046 | 0.4952 | 0.2506 | 0.4000 | Al |
7 | 0.5000 | 0.5000 | 0.5000 | 0.3600 | Al=0.5000 |
8 | 0.1523 | 0.3177 | 0.7413 | 0.4100 | Al |
9 | 0.2297 | 0.6777 | 0.3522 | 0.4200 | Al |
10 | 0.1209 | 0.3153 | 0.2353 | 0.4900 | Fe=0.1600, Mg=0.8400 |
11 | 0.6496 | 0.1554 | 0.3354 | 0.4100 | Si |
12 | 0.3503 | 0.8406 | 0.1812 | 0.4000 | Si |
13 | 0.2256 | 0.2706 | 0.5019 | 0.5900 | B |
14 | 0.2261 | 0.2652 | -0.0048 | 0.4700 | B=0.7700, Al=0.2300 |
15 | 0.2705 | 0.2105 | -0.0071 | 0.2000 | B=0.7700, Al=0.2300 |
16 | 0.0278 | 0.5437 | 0.2690 | 0.9300 | O |
17 | 0.1579 | 0.2009 | -0.1471 | 0.7700 | O |
18 | 0.1615 | 0.2037 | 0.5752 | 0.6400 | O |
19 | 0.6175 | 0.2732 | 0.2379 | 0.8600 | O |
20 | 0.6241 | 0.2768 | -0.0391 | 0.8800 | O |
21 | 0.6330 | 0.2875 | 0.4762 | 0.6300 | O |
22 | 0.6434 | 0.5626 | 0.1768 | 0.5800 | O |
23 | 0.6403 | 0.6034 | -0.0627 | 0.6100 | O |
24 | 0.3613 | 0.7080 | 0.2620 | 0.6400 | O |
25 | 0.3523 | 0.4483 | 0.3258 | 0.4700 | O |
26 | 0.1524 | 0.1984 | 0.0637 | 1.0700 | O |
27 | 0.1015 | -0.1238 | 0.3714 | 0.7800 | O |
28 | 0.1580 | 0.2914 | 0.3662 | 0.8100 | O |
29 | 0.1525 | -0.0762 | 0.1468 | 0.6000 | O |
30 | -0.1479 | 0.0815 | 0.3609 | 0.5400 | O |
31 | -0.0985 | 0.1245 | 0.1342 | 1.0700 | O |
32 | 0.3497 | 0.4052 | 0.5655 | 0.5700 | O |
33 | 0.5042 | -0.0061 | 0.2692 | 1.0600 | O |
34 | 0.5905 | -0.0503 | 0.0107 | 1.0800 | O=0.2500 |
35 | 0.5167 | 0.0003 | 0.0050 | 0.7200 | O=0.2500 |