N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8903 | 0.0508 | 0.0066 | 0.8900 | Fe |
2 | 0.9404 | 0.7394 | 0.2500 | 0.9500 | Fe |
3 | 0.8130 | 0.3706 | 0.7500 | 0.9700 | Ca |
4 | 0.9596 | 0.3681 | 0.2500 | 0.6300 | Si |
5 | 0.6794 | 0.2270 | 0.2500 | 0.6300 | Si |
6 | 0.0102 | 0.0293 | 0.7500 | 1.3100 | O |
7 | 0.9363 | 0.2719 | 0.0166 | 0.9100 | O |
8 | 0.7771 | 0.1097 | 0.2500 | 0.9400 | O |
9 | 0.6711 | 0.3295 | 0.0185 | 0.9800 | O |
10 | 0.5848 | 0.1013 | 0.2500 | 0.8900 | O |
11 | 0.6019 | 0.0243 | 0.7500 | 1.2700 | O |
12 | 0.7976 | 0.1088 | 0.7500 | 0.8800 | OH |