N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2501 | 0.2500 | -0.0003 | 0.0000 | Zr |
2 | 0.2643 | 0.0722 | 0.6383 | 0.0000 | Si |
3 | -0.2646 | 0.0727 | -0.1390 | 0.0000 | Si |
4 | 0.0502 | 0.2171 | 0.4269 | 0.0000 | Si |
5 | -0.0498 | 0.2162 | 0.0724 | 0.0000 | Si |
6 | 0.0012 | 0.1599 | 0.2484 | 0.0000 | O |
7 | 0.1459 | 0.1039 | 0.5012 | 0.0000 | O |
8 | -0.1417 | 0.1021 | -0.0090 | 0.0000 | O |
9 | 0.1156 | 0.3591 | 0.4174 | 0.0000 | O |
10 | -0.1150 | 0.3579 | 0.0862 | 0.0000 | O |
11 | 0.0575 | 0.2301 | 0.9703 | 0.0000 | O |
12 | -0.0556 | 0.2311 | -0.4702 | 0.0000 | O |
13 | 0.2369 | 0.1338 | 0.8000 | 0.0000 | O |
14 | -0.2432 | 0.1348 | -0.3024 | 0.0000 | O |
15 | 0.2877 | 0.0826 | 0.1474 | 0.0000 | O |
16 | -0.2896 | 0.0840 | 0.3586 | 0.0000 | O |
17 | -0.0030 | 0.0759 | 0.7475 | 0.0000 | Na=0.9830 |
18 | -0.0012 | 0.3989 | 0.7484 | 0.0000 | Na=0.7690 |
19 | -0.0132 | 0.4259 | 0.8293 | 0.0000 | Na=0.1860 |