N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0002 | 0.1085 | 0.3324 | 1.1200 | Y=0.8500, Ca=0.1500 |
2 | 0.0000 | 0.0000 | 0.0000 | 1.7300 | Fe=0.3000 |
3 | 0.5182 | 0.2757 | 0.0796 | 1.1900 | Si |
4 | 0.7600 | 0.4111 | 0.0337 | 1.4700 | O |
5 | 0.3250 | 0.2875 | 0.4526 | 1.4800 | O |
6 | 0.3030 | 0.3460 | 0.1952 | 1.4800 | O |
7 | 0.6840 | 0.1075 | 0.1457 | 1.7700 | O |
8 | 0.7880 | 0.4118 | 0.3317 | 1.5200 | O=0.3000, OH=0.7000 |
9 | 0.4490 | 0.4130 | 0.3362 | 0.9000 | Be=0.8500, B=0.1500 |