N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0002 | 0.1085 | 0.3324 | 1.1500 | Y=0.8000, Ca=0.2000 |
2 | 0.0000 | 0.0000 | 0.0000 | 1.9000 | Fe=0.3000 |
3 | 0.5197 | 0.2756 | 0.0795 | 1.0900 | Si |
4 | 0.7600 | 0.4112 | 0.0325 | 1.3800 | O |
5 | 0.3284 | 0.2879 | 0.4505 | 1.3500 | O |
6 | 0.3032 | 0.3452 | 0.1959 | 1.2500 | O |
7 | 0.6870 | 0.1085 | 0.1467 | 1.4200 | O |
8 | 0.7860 | 0.4127 | 0.3316 | 1.3500 | O=0.2500, OH=0.7500 |
9 | 0.4480 | 0.4145 | 0.3357 | 1.0000 | Be=0.8000, B=0.2000 |