N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7500 | 0.0523 | 0.2500 | 0.0000 | Na=0.7090, Ca=0.2910 |
2 | 0.7500 | 0.4505 | 0.7500 | 0.0000 | Ca=0.7090, Na=0.2910 |
3 | 0.7500 | 0.6593 | 0.2500 | 0.0000 | Mg=0.4600, Al=0.4800, Fe=0.0600 |
4 | 0.7500 | 0.8474 | 0.7500 | 0.0000 | Mg=0.4600, Al=0.4800, Fe=0.0600 |
5 | 0.0395 | 0.8477 | 0.2267 | 0.0000 | Si=0.9850, Al=0.0150 |
6 | 0.0372 | 0.6625 | 0.7305 | 0.0000 | Si=0.9850, Al=0.0150 |
7 | 0.8630 | 0.8393 | 0.1201 | 0.0000 | O |
8 | 0.8610 | 0.6780 | 0.6482 | 0.0000 | O |
9 | 0.1149 | 0.0102 | 0.3093 | 0.0000 | O |
10 | 0.1061 | 0.4975 | 0.8050 | 0.0000 | O |
11 | 0.1066 | 0.7665 | 0.0039 | 0.0000 | O |
12 | 0.0980 | 0.7403 | 0.4977 | 0.0000 | O |