N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0014 | 0.1086 | 0.3316 | 1.7100 | Y=0.7500, Ca=0.2500 |
2 | 0.0000 | 0.0000 | 0.0000 | 2.0000 | Fe=0.3000 |
3 | 0.5197 | 0.2743 | 0.0802 | 1.6500 | Si |
4 | 0.7610 | 0.4103 | 0.0326 | 1.9000 | O |
5 | 0.3250 | 0.2866 | 0.4510 | 1.9000 | O |
6 | 0.3080 | 0.3434 | 0.1974 | 2.1000 | O |
7 | 0.6850 | 0.1060 | 0.1458 | 2.0000 | O |
8 | 0.7800 | 0.4094 | 0.3313 | 2.2000 | O=0.2500, OH=0.7500 |
9 | 0.4520 | 0.4130 | 0.3350 | 1.8000 | Be=0.7500, B=0.2500 |