N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1226 | 0.1315 | 0.0015 | 0.0000 | Fe |
2 | 0.2264 | 0.1314 | 0.1692 | 0.0000 | Fe |
3 | 0.2813 | 0.1125 | 0.3345 | 0.0000 | Fe |
4 | 0.3925 | 0.1299 | 0.5020 | 0.0000 | Fe |
5 | 0.4715 | 0.1265 | 0.6707 | 0.0000 | Fe |
6 | 0.5354 | 0.1242 | 0.8390 | 0.0000 | Fe=0.8920, Ni=0.1080 |
7 | 0.6402 | 0.1211 | 0.0078 | 0.0000 | Fe=0.6670, Ni=0.3330 |
8 | 0.6983 | 0.1293 | 0.1632 | 0.0000 | Fe=0.5550, Ni=0.4450 |
9 | 0.8125 | 0.1211 | 0.3301 | 0.0000 | Fe |
10 | 0.8683 | 0.1257 | 0.5005 | 0.0000 | Fe |
11 | 0.9557 | 0.1348 | 0.6679 | 0.0000 | Fe=0.8750, Ni=0.1250 |
12 | 0.0604 | 0.1128 | 0.8336 | 0.0000 | Fe |
13 | 0.3409 | 0.0416 | 0.9240 | 0.0000 | (S) |
14 | 0.5060 | 0.0408 | 0.2528 | 0.0000 | (S) |
15 | 0.6723 | 0.0436 | 0.5866 | 0.0000 | (S) |
16 | 0.8380 | 0.0416 | 0.9180 | 0.0000 | (S) |
17 | 0.0040 | 0.0409 | 0.2449 | 0.0000 | (S) |
18 | 0.1710 | 0.0419 | 0.5856 | 0.0000 | (S) |
19 | 0.4180 | 0.2089 | 0.0824 | 0.0000 | (S) |
20 | 0.5860 | 0.2077 | 0.4118 | 0.0000 | (S) |
21 | 0.7580 | 0.2086 | 0.7571 | 0.0000 | (S) |
22 | 0.9234 | 0.2090 | 0.0874 | 0.0000 | (S) |
23 | 0.0899 | 0.2089 | 0.4209 | 0.0000 | (S) |
24 | 0.2574 | 0.2077 | 0.7523 | 0.0000 | (S) |