N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.1303 | 0.0000 | Ba=0.6500 |
2 | 0.0000 | 0.0000 | 0.2941 | 0.0000 | Ba=0.0700 |
3 | 0.0000 | 0.0000 | 0.5189 | 0.0000 | Ba=0.5800 |
4 | 0.0000 | 0.0000 | 0.7149 | 0.0000 | Ba=0.3200 |
5 | 0.0000 | 0.0000 | 0.8966 | 0.0000 | Ba=0.3100 |
6 | 0.0000 | 0.0000 | 0.0643 | 0.0000 | Ba=0.0300 |
7 | 0.0000 | 0.0000 | 0.2475 | 0.0000 | Ba=0.2000 |
8 | 0.0000 | 0.0000 | 0.4913 | 0.0000 | Ba=0.3300 |
9 | 0.0000 | 0.0000 | 0.8809 | 0.0000 | Ba=0.3900 |
10 | 0.3537 | 0.1712 | 0.1982 | 0.0000 | Ti=0.8000, V=0.1500, Cr=0.0500 |
11 | 0.3484 | 0.1646 | 0.3982 | 0.0000 | Ti=0.8000, V=0.1500, Cr=0.0500 |
12 | 0.3505 | 0.1670 | 0.5982 | 0.0000 | Ti=0.8000, V=0.1500, Cr=0.0500 |
13 | 0.3524 | 0.1698 | 0.7982 | 0.0000 | Ti=0.8000, V=0.1500, Cr=0.0500 |
14 | 0.3472 | 0.1629 | 0.9982 | 0.0000 | Ti=0.8000, V=0.1500, Cr=0.0500 |
15 | 0.3398 | 0.3007 | 0.1000 | 0.0000 | O |
16 | 0.3494 | 0.2979 | 0.3015 | 0.0000 | O |
17 | 0.3466 | 0.3011 | 0.5009 | 0.0000 | O |
18 | 0.3415 | 0.2987 | 0.7004 | 0.0000 | O |
19 | 0.3525 | 0.2993 | 0.9018 | 0.0000 | O |
20 | 0.3322 | 0.0419 | 0.1009 | 0.0000 | O |
21 | 0.3353 | 0.0408 | 0.2998 | 0.0000 | O |
22 | 0.3325 | 0.0405 | 0.5002 | 0.0000 | O |
23 | 0.3340 | 0.0421 | 0.7006 | 0.0000 | O |
24 | 0.3343 | 0.0399 | 0.8996 | 0.0000 | O |