N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al=0.9140, Fe=0.0860 |
2 | 0.3333 | 0.6667 | 0.2500 | 0.0000 | Fe |
3 | 0.6667 | 0.3333 | 0.0033 | 0.0000 | Fe=0.9280, Al=0.0720 |
4 | 0.2451 | 0.4145 | 0.1225 | 0.0000 | S |
5 | 0.3191 | 0.3452 | 0.0918 | 0.0000 | O |
6 | 0.1056 | 0.3076 | 0.1552 | 0.0000 | O |
7 | 0.2235 | 0.4942 | 0.0587 | 0.0000 | O |
8 | 0.3360 | 0.5145 | 0.1833 | 0.0000 | O |
9 | 0.1653 | 0.0702 | 0.0635 | 0.0000 | O |
10 | 0.4512 | 0.1187 | 0.2122 | 0.0000 | O |
11 | 0.5698 | 0.1613 | 0.0737 | 0.0000 | O |