N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2984 | 0.4955 | 0.4753 | 0.0000 | Al=0.9960, Fe=0.0080, Mg=0.0040, Ca=0.0060 |
2 | 0.7931 | 0.3309 | 0.4735 | 0.0000 | Al=0.9960, Fe=0.0080, Mg=0.0040, Ca=0.0060 |
3 | 0.9951 | 0.3381 | 0.0924 | 0.0000 | Si=0.9780, Ti=0.0090 |
4 | 0.5106 | 0.1672 | 0.0944 | 0.0000 | Si=0.9780, Ti=0.0090 |
5 | 0.0499 | 0.3531 | 0.3172 | 0.0000 | O |
6 | 0.1211 | 0.6616 | 0.3183 | 0.0000 | O |
7 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | O |
8 | 0.2091 | 0.2311 | 0.0254 | 0.0000 | O |
9 | 0.2041 | 0.7639 | 0.0012 | 0.0000 | O |
10 | 0.0497 | 0.9689 | 0.3249 | 0.0000 | OH |
11 | 0.9598 | 0.1649 | 0.6061 | 0.0000 | OH |
12 | 0.0375 | 0.4741 | 0.6052 | 0.0000 | OH |
13 | 0.0366 | 0.8569 | 0.6077 | 0.0000 | OH |