N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3667 | 0.2500 | 0.4376 | 0.0000 | Ca |
2 | 0.4518 | 0.2500 | 0.1150 | 0.0000 | Ca |
3 | 0.0816 | 0.2500 | 0.1064 | 0.0000 | Si |
4 | 0.4104 | 0.7500 | 0.2821 | 0.0000 | Si |
5 | 0.1601 | 0.2500 | 0.4356 | 0.0000 | Si |
6 | 0.2496 | 0.9971 | 0.1899 | 0.0000 | Al |
7 | 0.1054 | 0.7500 | 0.3006 | 0.0000 | Al |
8 | 0.1317 | 0.0000 | 0.1451 | 0.0000 | O |
9 | 0.1012 | 0.0150 | 0.4300 | 0.0000 | O |
10 | 0.3584 | 0.9900 | 0.2452 | 0.0000 | O |
11 | 0.2178 | 0.7500 | 0.3010 | 0.0000 | O |
12 | 0.2273 | 0.2500 | 0.3120 | 0.0000 | O |
13 | 0.2713 | 0.7500 | 0.0600 | 0.0000 | O |
14 | 0.9905 | 0.2500 | 0.1640 | 0.0000 | O |
15 | 0.9954 | 0.7500 | 0.2950 | 0.0000 | O |
16 | 0.4209 | 0.7500 | 0.4430 | 0.0000 | O |
17 | 0.2680 | 0.2500 | 0.0740 | 0.0000 | O |
18 | 0.2600 | 0.2500 | 0.9500 | 0.0000 | H |