N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4879 | 0.3671 | 0.1467 | 0.0100 | Si=0.9430 |
2 | 0.4900 | 0.1334 | 0.1505 | 0.0100 | Si=0.9490 |
3 | 0.3288 | 0.1332 | 0.3217 | 0.0100 | Si=0.9520 |
4 | 0.3276 | 0.3645 | 0.3180 | 0.0100 | Si=0.9500 |
5 | 0.3811 | 0.0578 | 0.7337 | 0.0100 | Al=0.9550 |
6 | 0.3837 | 0.4401 | 0.7288 | 0.0100 | Al=0.9530 |
7 | 0.5144 | 0.2506 | 0.2169 | 0.0200 | O |
8 | 0.4673 | 0.3749 | 0.9220 | 0.0200 | O |
9 | 0.4648 | 0.1237 | 0.9246 | 0.0200 | O |
10 | 0.3930 | 0.1285 | 0.5461 | 0.0200 | O |
11 | 0.3962 | 0.3708 | 0.5403 | 0.0200 | O |
12 | 0.3903 | 0.4019 | 0.1883 | 0.0200 | O |
13 | 0.3964 | 0.0966 | 0.2020 | 0.0200 | O |
14 | 0.4198 | 0.5654 | 0.7300 | 0.0200 | O |
15 | 0.5851 | 0.0683 | 0.2692 | 0.0200 | O |
16 | 0.2935 | 0.2485 | 0.2640 | 0.0200 | O |
17 | 0.2623 | 0.0576 | 0.7319 | 0.0200 | O |
18 | 0.2654 | 0.4375 | 0.7307 | 0.0200 | O |
19 | 0.6150 | 0.1213 | 0.6730 | 0.0500 | H2O=0.5770 |
20 | 0.6336 | 0.3375 | 0.6421 | 0.0500 | H2O=0.9490 |
21 | 0.6628 | 0.2514 | 0.0273 | 0.0300 | H2O=0.5480 |
22 | 0.7500 | 0.1932 | 0.5000 | 0.0500 | H2O=0.3770 |
23 | 0.2500 | 0.5684 | 0.0000 | 0.0400 | K=0.3820 |
24 | 0.7500 | 0.0867 | 0.0000 | 0.1900 | Na=0.2460 |
25 | 0.6833 | 0.1219 | 0.8918 | 0.0300 | Na=0.1000 |
26 | 0.5164 | 0.2475 | 0.7364 | 0.0200 | Ca=0.7910 |