N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0460 | 0.4880 | 0.0380 | 0.0000 | Si |
2 | 0.0330 | 0.1590 | 0.0370 | 0.0000 | Si |
3 | 0.8790 | 0.3350 | 0.2330 | 0.0000 | Al |
4 | 0.3864 | 0.5000 | 0.2340 | 0.0000 | Al |
5 | 0.9870 | 0.3240 | 0.9860 | 0.0000 | O |
6 | 0.3160 | 0.5500 | 0.9910 | 0.0000 | O |
7 | 0.8270 | 0.6060 | 0.9960 | 0.0000 | O |
8 | 0.0710 | 0.4780 | 0.1550 | 0.0000 | O |
9 | 0.0020 | 0.1700 | 0.1550 | 0.0000 | O |
10 | 0.5780 | 0.3600 | 0.1610 | 0.0000 | OH |
11 | 0.1970 | 0.3530 | 0.3040 | 0.0000 | OH |
12 | 0.1900 | 0.9840 | 0.3030 | 0.0000 | OH |
13 | 0.2620 | 0.6660 | 0.3010 | 0.0000 | OH |
14 | 0.4960 | 0.2556 | 0.1420 | 0.0000 | H |
15 | 0.2349 | 0.2821 | 0.3511 | 0.0000 | H |
16 | 0.2329 | 0.6345 | 0.3701 | 0.0000 | H |
17 | 0.2518 | 0.0170 | 0.3557 | 0.0000 | H |