N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1589 | 0.2996 | 0.3953 | 0.0300 | Bi=0.5000 |
2 | 0.2541 | 0.3223 | 0.3883 | 0.0200 | Bi=0.5000 |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0200 | Fe |
4 | 0.0000 | 0.5000 | 0.0000 | 0.0200 | Cu=0.8800, Fe=0.1200 |
5 | 0.5411 | 0.7998 | 0.2178 | 0.0200 | As |
6 | 0.3140 | 0.5650 | 0.1980 | 0.0200 | O |
7 | 0.1450 | 0.7420 | 0.8990 | 0.0300 | O |
8 | 0.3380 | 0.0120 | 0.1820 | 0.0300 | O |
9 | 0.2450 | 0.2240 | 0.9160 | 0.0200 | O |
10 | 0.2770 | 0.6170 | 0.5410 | 0.0300 | O |
11 | 0.2460 | 0.1390 | 0.6110 | 0.0300 | O |