N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3333 | 0.6667 | 0.1865 | 0.6900 | Fe |
2 | 0.3333 | 0.6667 | 0.6872 | 0.7000 | Fe |
3 | 0.0000 | 0.0000 | 0.0000 | 0.8000 | Fe |
4 | 0.0000 | 0.0000 | 0.5000 | 0.8200 | Fe |
5 | 0.3367 | 0.5128 | 0.4283 | 0.8400 | S |
6 | 0.1810 | 0.5089 | 0.9445 | 0.8200 | S |
7 | 0.1429 | 0.1648 | 0.7451 | 0.8600 | S |
8 | 0.0833 | 0.6367 | 0.0703 | 2.3500 | Na |
9 | 0.1084 | 0.4163 | 0.2991 | 2.6400 | Na |
10 | 0.2186 | 0.2503 | 0.4002 | 2.3900 | Na |
11 | 0.2532 | 0.5441 | 0.8140 | 1.1600 | O |
12 | 0.3733 | 0.5845 | 0.5603 | 0.9500 | O |
13 | 0.2841 | 0.5458 | 0.3170 | 1.2000 | O |
14 | 0.2128 | 0.5934 | 0.0581 | 1.1400 | O |
15 | 0.2640 | 0.4147 | 0.4814 | 1.2200 | O |
16 | 0.4220 | 0.5164 | 0.3509 | 1.5100 | O |
17 | 0.5162 | 0.6002 | 0.8867 | 1.6300 | O |
18 | 0.5723 | 0.7553 | 0.0230 | 1.6000 | O |
19 | 0.0269 | 0.1166 | 0.1285 | 1.1600 | O |
20 | 0.0599 | 0.1231 | 0.6277 | 0.9900 | O |
21 | 0.2345 | 0.1803 | 0.6694 | 1.5000 | O |
22 | 0.1518 | 0.2558 | 0.8055 | 1.8500 | O |
23 | 0.2491 | 0.2821 | 0.1292 | 2.1600 | H2O |
24 | 0.6429 | 0.5920 | 0.1995 | 2.2600 | H2O |
25 | 0.3921 | 0.3160 | 0.4287 | 1.8900 | H2O |