N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.2509 | 0.5093 | 0.0000 | Rb=0.0790 |
2 | 0.5000 | 0.1366 | 0.5825 | 0.0000 | Rb=0.7500 |
3 | 0.0000 | 0.3638 | 0.0706 | 0.0000 | Rb=0.6100 |
4 | 0.0000 | 0.3860 | 0.0733 | 0.0000 | Rb=0.2200 |
5 | 0.5000 | 0.1391 | 0.5970 | 0.0000 | Rb=0.1100 |
6 | 0.2500 | 0.2360 | 0.7500 | 0.0000 | Na=0.0600 |
7 | 0.2500 | 0.2500 | 0.5000 | 0.0000 | Zr |
8 | 0.3907 | 0.1078 | 0.3628 | 0.0000 | Si |
9 | 0.3895 | 0.3815 | 0.6536 | 0.0000 | Si |
10 | 0.2438 | 0.0490 | 0.6448 | 0.0000 | Si |
11 | 0.1522 | 0.1960 | 0.4097 | 0.0000 | O |
12 | 0.1521 | 0.0164 | 0.3665 | 0.0000 | O |
13 | 0.2500 | 0.0803 | 0.7500 | 0.0000 | O |
14 | 0.2332 | 0.1356 | 0.5813 | 0.0000 | O |
15 | 0.0000 | 0.1084 | 0.3670 | 0.0000 | O |
16 | 0.3371 | -0.0103 | 0.6221 | 0.0000 | O |
17 | 0.3751 | 0.3566 | 0.7595 | 0.0000 | O |
18 | 0.3624 | 0.1858 | 0.4334 | 0.0000 | O |
19 | 0.5000 | 0.0790 | 0.3775 | 0.0000 | O |
20 | 0.0648 | 0.3294 | 0.2436 | 0.0000 | H2O=0.4040 |
21 | 0.0000 | 0.1900 | 0.7330 | 0.0000 | H2O=0.1000 |