N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.5000 | 0.0000 | 0.7300 | Mn |
2 | 0.5000 | 0.5000 | 0.5000 | 0.7000 | Mn |
3 | 0.2503 | 0.0000 | 0.4993 | 0.5700 | Mn |
4 | 0.5000 | 0.0000 | 0.0000 | 1.9500 | Mg=0.8300 |
5 | 0.5000 | 0.0000 | 0.5000 | 2.0600 | Mg=0.7700 |
6 | 0.2500 | 0.2500 | 0.0000 | 2.6000 | Mg=0.8400, Mn=0.1600 |
7 | 0.3869 | 0.2497 | 0.7072 | 2.6400 | Mg=0.9900, Fe=0.0100 |
8 | 0.1344 | 0.0000 | 0.8055 | 2.5700 | B |
9 | 0.3692 | 0.0000 | 0.1986 | 2.8500 | B |
10 | 0.3972 | 0.5000 | 0.9838 | 2.7300 | O |
11 | 0.3959 | 0.5000 | 0.4344 | 2.6500 | O |
12 | 0.1980 | 0.0000 | 0.8332 | 2.7400 | O |
13 | 0.4014 | 0.0000 | 0.9834 | 1.0200 | O |
14 | 0.4002 | 0.0000 | 0.4397 | 1.9400 | O |
15 | 0.3058 | 0.0000 | 0.1713 | 1.8900 | O |
16 | 0.5138 | 0.2755 | 0.2556 | 1.9200 | O |
17 | 0.2937 | 0.2502 | 0.6775 | 1.7600 | O |