N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3333 | 0.6667 | 0.8736 | 1.6200 | Sb=0.5000 |
2 | 0.3333 | 0.6667 | 0.6262 | 1.7100 | Sb=0.5000 |
3 | 0.1651 | 0.4483 | 0.2507 | 1.6500 | Sb |
4 | 0.3867 | 0.4029 | 0.2518 | 1.3300 | Sb |
5 | 0.1814 | 0.2814 | 0.7471 | 3.1300 | K=0.8000 |
6 | 0.3620 | 0.5293 | 0.7187 | 4.3700 | (S) |
7 | 0.0000 | 0.0000 | 0.4904 | 1.3600 | Na=0.5800 |
8 | 0.2275 | 0.3513 | 0.2334 | 1.6200 | O |
9 | 0.0646 | 0.3541 | 0.5020 | 1.4700 | O |
10 | 0.0595 | 0.3589 | 0.9998 | 2.9200 | O |
11 | 0.0920 | 0.1401 | 0.2230 | 7.6800 | O=0.9400 |