N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5687 | 0.1350 | 0.8203 | 0.0000 | K=0.9600 |
2 | 0.5000 | 0.5000 | 0.5000 | 0.0000 | K |
3 | 0.9757 | 0.8611 | 0.4609 | 0.0000 | Na=0.8100 |
4 | 0.9901 | 0.7410 | 0.8855 | 0.0000 | Na=0.4100 |
5 | 0.0055 | 0.4247 | 0.7006 | 0.0000 | Fe=0.4400, Mn=0.3400, Ti=0.2200 |
6 | 0.7375 | 0.2834 | 0.4291 | 0.0000 | Si |
7 | 0.7165 | 0.6736 | 0.1360 | 0.0000 | Si |
8 | 0.7337 | 0.4194 | 0.9938 | 0.0000 | Si |
9 | 0.6781 | 0.8125 | 0.7010 | 0.0000 | Si |
10 | 0.6735 | 0.3522 | 0.6954 | 0.0000 | O |
11 | 0.8952 | 0.2965 | 0.4822 | 0.0000 | O |
12 | 0.6525 | 0.7284 | 0.8982 | 0.0000 | O |
13 | 0.8735 | 0.6832 | 0.1747 | 0.0000 | O |
14 | 0.8919 | 0.4392 | 0.0176 | 0.0000 | O |
15 | 0.8233 | 0.8724 | 0.7639 | 0.0000 | O |
16 | 0.6602 | 0.5397 | 0.0558 | 0.0000 | O |
17 | 0.6503 | 0.7323 | 0.4004 | 0.0000 | O |
18 | 0.6832 | 0.3468 | 0.1941 | 0.0000 | O |
19 | 0.6773 | 0.1541 | 0.3523 | 0.0000 | O |
20 | 0.5653 | 0.9052 | 0.7303 | 0.0000 | O |
21 | 0.8933 | 0.5458 | 0.5733 | 0.0000 | O |
22 | 0.8581 | 0.9925 | 0.2831 | 0.0000 | O |
23 | 0.8890 | 0.1560 | 0.9040 | 0.0000 | O=0.5000 |
24 | 0.8560 | 0.1130 | 0.8220 | 0.0000 | O=0.5000 |
25 | 0.4810 | 0.8750 | 0.6920 | 0.0000 | H |
26 | 0.8820 | 0.6030 | 0.7140 | 0.0000 | H |
27 | 0.8470 | 0.9530 | 0.1110 | 0.0000 | H |
28 | 0.7890 | 0.0380 | 0.3100 | 0.0000 | H |
29 | 0.9690 | 0.1790 | 0.0100 | 0.0000 | H=0.5000 |
30 | 0.8600 | 0.0790 | 0.9100 | 0.0000 | H=0.5000 |
31 | 0.7860 | 0.1300 | 0.6640 | 0.0000 | H=0.5000 |
32 | 0.7990 | 0.1300 | 0.9800 | 0.0000 | H=0.5000 |