N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7592 | 0.7500 | 0.1529 | 0.0000 | Ca |
2 | 0.6048 | 0.7500 | 0.4276 | 0.0000 | Ca |
3 | 0.3410 | 0.7500 | 0.0508 | 0.0000 | Si |
4 | 0.6800 | 0.2500 | 0.2751 | 0.0000 | Si |
5 | 0.1837 | 0.7500 | 0.3170 | 0.0000 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al |
7 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
8 | 0.2913 | 0.2500 | 0.2237 | 0.0000 | Fe |
9 | 0.2354 | 0.9980 | 0.0455 | 0.0000 | O |
10 | 0.3037 | 0.9850 | 0.3532 | 0.0000 | O |
11 | 0.7911 | 0.0140 | 0.3439 | 0.0000 | O |
12 | 0.0530 | 0.2500 | 0.1350 | 0.0000 | O |
13 | 0.0390 | 0.7500 | 0.1420 | 0.0000 | O |
14 | 0.0630 | 0.7500 | 0.4040 | 0.0000 | O |
15 | 0.5160 | 0.7500 | 0.1820 | 0.0000 | O |
16 | 0.5160 | 0.2500 | 0.3060 | 0.0000 | O |
17 | 0.6310 | 0.2500 | 0.1000 | 0.0000 | O |
18 | 0.0780 | 0.2500 | 0.4220 | 0.0000 | O |