N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Fe |
2 | 0.0110 | 0.1650 | 0.0000 | 0.0000 | Fe |
3 | 0.4800 | 0.1640 | 0.0000 | 0.0000 | Fe |
4 | 0.4860 | 0.0000 | 0.0000 | 0.0000 | Fe |
5 | 0.5110 | 0.3340 | 0.0000 | 0.0000 | Fe |
6 | 0.9800 | 0.3350 | 0.0000 | 0.0000 | Fe |
7 | 0.1700 | 0.1000 | 0.5000 | 0.0000 | Mg=0.7100, Fe=0.2900 |
8 | 0.6610 | 0.0000 | 0.5000 | 0.0000 | Mg=0.7100, Fe=0.2900 |
9 | 0.6580 | 0.1980 | 0.5000 | 0.0000 | Mg=0.7100, Fe=0.2900 |
10 | 0.6700 | 0.3990 | 0.5000 | 0.0000 | Mg=0.7100, Fe=0.2900 |
11 | 0.1580 | 0.3010 | 0.5000 | 0.0000 | Mg=0.7100, Fe=0.2900 |
12 | 0.2600 | 0.0880 | 0.1290 | 0.0000 | (S) |
13 | 0.7410 | 0.0800 | -0.1290 | 0.0000 | (S) |
14 | 0.2370 | 0.2430 | -0.1290 | 0.0000 | (S) |
15 | 0.7370 | 0.2570 | 0.1290 | 0.0000 | (S) |
16 | 0.2410 | 0.4200 | 0.1290 | 0.0000 | (S) |
17 | 0.7600 | 0.4120 | -0.1290 | 0.0000 | (S) |
18 | 0.0270 | 0.0000 | 0.5980 | 0.0000 | OH |
19 | 0.0080 | 0.2080 | 0.5980 | 0.0000 | OH |
20 | 0.3620 | 0.0000 | 0.4020 | 0.0000 | OH |
21 | 0.2990 | 0.1960 | 0.4020 | 0.0000 | OH |
22 | 0.4660 | 0.0950 | 0.5980 | 0.0000 | OH |
23 | 0.8380 | 0.1020 | 0.4020 | 0.0000 | OH |
24 | 0.5080 | 0.2920 | 0.5980 | 0.0000 | OH |
25 | 0.9960 | 0.4050 | 0.5980 | 0.0000 | OH |
26 | 0.7990 | 0.3040 | 0.4020 | 0.0000 | OH |
27 | 0.3380 | 0.3980 | 0.4020 | 0.0000 | OH |