N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2500 | 0.3750 | 0.0000 | 0.0000 | Mn=0.9500, Mg=0.0500 |
2 | 0.2326 | 0.1250 | 0.0174 | 0.0000 | Mn=0.3300, Cu=0.1700 |
3 | 0.3750 | 0.2642 | 0.0142 | 0.0000 | Mn=0.9400, Mg=0.0600 |
4 | 0.1127 | 0.3627 | 0.1250 | 0.0000 | Mn=0.9000, Mg=0.1000 |
5 | 0.4991 | 0.3662 | 0.0084 | 0.0000 | As |
6 | 0.5698 | 0.3201 | 0.0366 | 0.0000 | O |
7 | 0.4612 | 0.3184 | -0.0568 | 0.0000 | O |
8 | 0.4445 | 0.3338 | 0.0727 | 0.0000 | O |
9 | 0.1414 | 0.1086 | 0.1250 | 0.0000 | (Cl)=0.2700, OH=0.0700 |
10 | 0.0075 | 0.0134 | -0.0007 | 0.0000 | Mn=0.1600 |