N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5845 | 0.6934 | 0.5000 | 0.0200 | Pb=0.9550 |
2 | 0.5720 | 0.7100 | 0.0000 | 0.0500 | Pb=0.0450 |
3 | 0.8855 | 0.5984 | 0.0000 | 0.0200 | Pb=0.9550 |
4 | 0.8530 | 0.5680 | 0.5000 | 0.0000 | Pb=0.0450 |
5 | 0.0000 | 0.0000 | 0.5000 | 0.0300 | Pb=0.9550 |
6 | 0.0000 | 0.0000 | 0.0000 | 0.0400 | Pb=0.0450 |
7 | 0.3333 | 0.6667 | 0.0000 | 0.0200 | (Cl) |
8 | 0.6667 | 0.3333 | 0.5000 | 0.0200 | (Cl) |
9 | 0.0480 | 0.6200 | 0.5000 | 0.0200 | F |
10 | 0.6090 | 0.5700 | 0.0000 | 0.0200 | F |
11 | 0.0790 | 0.8680 | 0.0000 | 0.0400 | F |
12 | 0.8340 | 0.7290 | 0.5000 | 0.0200 | F |