N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3659 | 0.2500 | 0.4367 | 0.0000 | Ca |
2 | 0.4521 | 0.2500 | 0.1144 | 0.0000 | Ca |
3 | 0.0813 | 0.2500 | 0.1066 | 0.0000 | Si |
4 | 0.4107 | 0.7500 | 0.2817 | 0.0000 | Si |
5 | 0.1604 | 0.2500 | 0.4356 | 0.0000 | Si |
6 | 0.2495 | 0.9968 | 0.1895 | 0.0000 | Al |
7 | 0.1064 | 0.7500 | 0.2998 | 0.0000 | Al |
8 | 0.1300 | -0.0026 | 0.1473 | 0.0000 | O |
9 | 0.1014 | 0.0123 | 0.4305 | 0.0000 | O |
10 | 0.3590 | 0.9914 | 0.2430 | 0.0000 | O |
11 | 0.2192 | 0.7500 | 0.3012 | 0.0000 | O |
12 | 0.2278 | 0.2500 | 0.3117 | 0.0000 | O |
13 | 0.2712 | 0.7500 | 0.0595 | 0.0000 | O |
14 | 0.9909 | 0.2500 | 0.1632 | 0.0000 | O |
15 | 0.9965 | 0.7500 | 0.2949 | 0.0000 | O |
16 | 0.4192 | 0.7500 | 0.4435 | 0.0000 | O |
17 | 0.2662 | 0.2500 | 0.0735 | 0.0000 | O |
18 | 0.2690 | 0.2500 | 0.9753 | 0.0000 | H |