N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5389 | 0.3465 | 0.2268 | 0.0000 | Si |
2 | 0.5372 | 0.1615 | 0.7301 | 0.0000 | Si |
3 | 0.3635 | 0.3372 | 0.1234 | 0.0000 | O |
4 | 0.3612 | 0.1756 | 0.6461 | 0.0000 | O |
5 | 0.6134 | 0.5085 | 0.3084 | 0.0000 | O |
6 | 0.6064 | 0.9976 | 0.8051 | 0.0000 | O |
7 | 0.6052 | 0.2655 | 0.0032 | 0.0000 | O |
8 | 0.5989 | 0.2393 | 0.4974 | 0.0000 | O |
9 | 0.2500 | 0.3476 | 0.7500 | 0.0000 | Al=0.9050, Fe=0.0950 |
10 | 0.2500 | 0.1583 | 0.2500 | 0.0000 | Mg=0.9360, Fe=0.0640 |
11 | 0.2500 | 0.5527 | 0.2500 | 0.0000 | Na=0.7160, Ca=0.2840 |
12 | 0.2500 | 0.9497 | 0.7500 | 0.0000 | Ca=0.6680, Na=0.3320 |