N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4130 | 0.7500 | 0.2517 | 0.0000 | Ta=0.3000, Al=0.2600 |
2 | 0.5550 | 0.6080 | 0.4712 | 0.0000 | Al=0.9500, Sb=0.0500 |
3 | 0.0590 | 0.4915 | 0.4320 | 0.0000 | Al |
4 | 0.0610 | 0.3604 | 0.2893 | 0.0000 | Al=0.9800 |
5 | 0.1030 | 0.7500 | 0.3911 | 0.0000 | Sb=0.4400 |
6 | 0.5860 | 0.5130 | 0.3320 | 0.0000 | Si=0.6500 |
7 | 0.6190 | 0.5570 | 0.3192 | 0.0000 | Sb=0.3000, As=0.0500 |
8 | 0.2300 | 0.2500 | 0.4120 | 0.0000 | B |
9 | 0.3780 | 0.7500 | 0.4540 | 0.0000 | O |
10 | 0.1650 | 0.7500 | 0.3320 | 0.0000 | O=0.5600 |
11 | 0.8950 | 0.6370 | 0.4258 | 0.0000 | O |
12 | 0.4000 | 0.4330 | 0.2826 | 0.0000 | O |
13 | 0.3960 | 0.5530 | 0.3940 | 0.0000 | O |
14 | 0.8860 | 0.4590 | 0.3493 | 0.0000 | O |
15 | 0.6690 | 0.6400 | 0.2900 | 0.0000 | O=0.6500 |
16 | 0.1740 | 0.2500 | 0.3460 | 0.0000 | O |
17 | 0.2510 | 0.3470 | 0.4449 | 0.0000 | O |
18 | 0.7530 | 0.2500 | 0.2800 | 0.0000 | O |
19 | 0.7460 | 0.4670 | 0.4893 | 0.0000 | O |