N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0868 | 0.5000 | 0.0000 | Mg=0.8500, Mn=0.1500 |
2 | 0.0000 | 0.1769 | 0.0000 | 0.0000 | Mg=0.8940, Mn=0.1060 |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mg=0.9380, Mn=0.0620 |
4 | 0.0000 | 0.2635 | 0.5000 | 0.0000 | Mn=0.8360, Ca=0.1200, Mg=0.0440 |
5 | 0.2951 | 0.1699 | 0.7839 | 0.0000 | Si |
6 | 0.2868 | 0.0842 | 0.2776 | 0.0000 | Si |
7 | 0.1143 | 0.0860 | 0.2122 | 0.0000 | O |
8 | 0.1214 | 0.1721 | 0.7179 | 0.0000 | O |
9 | 0.1135 | 0.0000 | 0.7122 | 0.0000 | O |
10 | 0.3745 | 0.2470 | 0.7759 | 0.0000 | O |
11 | 0.3492 | 0.1298 | 0.0655 | 0.0000 | O |
12 | 0.3494 | 0.1215 | 0.5575 | 0.0000 | O |
13 | 0.3444 | 0.0000 | 0.2803 | 0.0000 | O |
14 | 0.1950 | 0.0000 | 0.7870 | 0.0000 | H |