N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5370 | 0.1200 | 0.9438 | 0.0000 | Na |
2 | 0.9682 | 0.1180 | 0.0473 | 0.0000 | Na |
3 | 0.7535 | 0.2500 | 0.5373 | 0.0000 | Na |
4 | 0.7534 | 0.0148 | 0.5097 | 0.0000 | Zr |
5 | 0.0418 | 0.1419 | 0.5965 | 0.0000 | Si |
6 | 0.2528 | 0.0508 | 0.9933 | 0.0000 | Si |
7 | 0.4606 | 0.1400 | 0.3988 | 0.0000 | Si |
8 | 0.0590 | 0.2500 | 0.5462 | 0.0000 | O |
9 | 0.8905 | 0.1234 | 0.5744 | 0.0000 | O |
10 | 0.0922 | 0.0970 | 0.4418 | 0.0000 | O |
11 | 0.1387 | 0.1268 | 0.8546 | 0.0000 | O |
12 | 0.8016 | 0.0051 | 0.8492 | 0.0000 | O |
13 | 0.7060 | 0.0123 | 0.1708 | 0.0000 | O |
14 | 0.3850 | 0.1105 | 0.1403 | 0.0000 | O |
15 | 0.6171 | 0.1225 | 0.4652 | 0.0000 | O |
16 | 0.4321 | 0.2500 | 0.4146 | 0.0000 | O |
17 | 0.3982 | 0.0835 | 0.5446 | 0.0000 | O |
18 | 0.1024 | 0.2500 | 0.1602 | 0.0000 | H2O |
19 | 0.3924 | 0.2500 | 0.0052 | 0.0000 | H2O |
20 | 0.7512 | 0.2500 | -0.0222 | 0.0000 | Cl |
21 | 0.8688 | 0.2500 | 0.1195 | 0.0000 | OH |
22 | 0.7015 | 0.2500 | 0.1195 | 0.0000 | OH |