N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7617 | 0.7500 | 0.1555 | 0.0000 | Ca |
2 | 0.6063 | 0.7500 | 0.4234 | 0.0000 | Ca |
3 | 0.3382 | 0.7500 | 0.0478 | 0.0000 | Si |
4 | 0.6776 | 0.2500 | 0.2753 | 0.0000 | Si |
5 | 0.1822 | 0.7500 | 0.3158 | 0.0000 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al |
7 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
8 | 0.2873 | 0.2500 | 0.2238 | 0.0000 | Al |
9 | 0.2346 | 0.9972 | 0.0452 | 0.0000 | O |
10 | 0.3004 | 0.9867 | 0.3509 | 0.0000 | O |
11 | 0.7874 | 0.0188 | 0.3471 | 0.0000 | O |
12 | 0.0551 | 0.2500 | 0.1322 | 0.0000 | O |
13 | 0.0395 | 0.7500 | 0.1433 | 0.0000 | O |
14 | 0.0596 | 0.7500 | 0.4010 | 0.0000 | O |
15 | 0.5166 | 0.7500 | 0.1779 | 0.0000 | O |
16 | 0.5090 | 0.2500 | 0.2950 | 0.0000 | O |
17 | 0.6420 | 0.2500 | 0.1042 | 0.0000 | O |
18 | 0.0751 | 0.2500 | 0.4241 | 0.0000 | O |
19 | 0.0460 | 0.2500 | 0.3410 | 0.0000 | H |