N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.5000 | 0.8900 | Fe=0.8900, Ti=0.1100 |
2 | 0.0000 | 0.5000 | 0.0000 | 0.8500 | Fe=0.8700, Ti=0.1300 |
3 | 0.3214 | 0.8528 | 0.1779 | 0.9200 | Fe=0.9500, Ti=0.0500 |
4 | 0.7655 | 0.8199 | 0.1511 | 0.9300 | Fe=0.7600, Ti=0.2400 |
5 | 0.0961 | 0.9392 | 0.0530 | 1.0100 | Fe=0.9000, Ti=0.1000 |
6 | 0.5959 | 0.9432 | 0.0661 | 0.9200 | Fe |
7 | 0.9970 | 0.7434 | 0.2577 | 0.7000 | Ti=0.5900, Fe=0.4100 |
8 | 0.2089 | 0.6298 | 0.3893 | 0.5500 | Na |
9 | 0.6607 | 0.6117 | 0.3741 | 1.0600 | Na |
10 | 0.4768 | 0.2345 | 0.3313 | 0.4100 | Si |
11 | 0.9864 | 0.2363 | 0.3466 | 0.3900 | Si |
12 | 0.7921 | 0.3435 | 0.2416 | 0.4000 | Si=0.9000, Fe=0.1000 |
13 | 0.2772 | 0.3382 | 0.2252 | 0.6200 | Si=0.9500, Fe=0.0500 |
14 | 0.6487 | 0.9448 | 0.4447 | 0.5000 | Si=0.9400, Fe=0.0600 |
15 | 0.3528 | 0.5588 | 0.0501 | 0.5100 | Si=0.9500, Fe=0.0500 |
16 | 0.3542 | 0.0641 | 0.1621 | 0.6400 | O |
17 | 0.8611 | 0.0666 | 0.1807 | 0.4300 | O |
18 | 0.5440 | 0.9534 | 0.2958 | 0.7500 | O |
19 | 0.0151 | 0.9258 | 0.2670 | 0.8300 | O |
20 | 0.2353 | 0.8747 | 0.3933 | 0.6500 | O |
21 | 0.7541 | 0.8843 | 0.3902 | 0.6300 | O |
22 | 0.4929 | 0.1948 | 0.4973 | 0.7500 | O |
23 | 0.9675 | 0.7755 | 0.4871 | 0.5800 | O |
24 | 0.8996 | 0.3230 | 0.3735 | 0.7600 | O |
25 | 0.4034 | 0.3364 | 0.3529 | 0.9300 | O |
26 | 0.6653 | 0.1744 | 0.0709 | 0.5700 | O |
27 | 0.1570 | 0.1688 | 0.0612 | 0.5700 | O |
28 | 0.5233 | 0.7108 | 0.0393 | 0.5600 | O |
29 | 0.0673 | 0.7340 | 0.0757 | 0.3700 | O |
30 | 0.2417 | 0.6060 | 0.1120 | 0.8900 | O |
31 | 0.7510 | 0.6018 | 0.1275 | 0.6400 | O |
32 | 0.4002 | 0.5015 | 0.1883 | 0.5200 | O |
33 | 0.9363 | 0.5147 | 0.2264 | 1.0900 | O |
34 | 0.1648 | 0.3649 | 0.3183 | 0.6200 | O |
35 | 0.6731 | 0.3626 | 0.3466 | 0.9900 | O |