N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7604 | 0.7500 | 0.1542 | 0.0000 | Ca |
2 | 0.6072 | 0.7500 | 0.4236 | 0.0000 | Ca |
3 | 0.3388 | 0.7500 | 0.0481 | 0.0000 | Si |
4 | 0.6788 | 0.2500 | 0.2753 | 0.0000 | Si |
5 | 0.1814 | 0.7500 | 0.3155 | 0.0000 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al |
7 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
8 | 0.2891 | 0.2500 | 0.2227 | 0.0000 | Al=0.7800, Fe=0.2200 |
9 | 0.2330 | 0.9953 | 0.0420 | 0.0000 | O |
10 | 0.3040 | 0.9840 | 0.3550 | 0.0000 | O |
11 | 0.7900 | 0.0128 | 0.3460 | 0.0000 | O |
12 | 0.0520 | 0.2500 | 0.1300 | 0.0000 | O |
13 | 0.0370 | 0.7500 | 0.1400 | 0.0000 | O |
14 | 0.0620 | 0.7500 | 0.4030 | 0.0000 | O |
15 | 0.5190 | 0.7500 | 0.1810 | 0.0000 | O |
16 | 0.5130 | 0.2500 | 0.2990 | 0.0000 | O |
17 | 0.6400 | 0.2500 | 0.1060 | 0.0000 | O |
18 | 0.0790 | 0.2500 | 0.4260 | 0.0000 | O |