N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 2.0500 | Mg=0.3160 |
2 | 0.1212 | 0.1410 | 0.2500 | 0.8100 | Mg |
3 | 0.5000 | 0.1463 | 0.2500 | 0.6600 | Mg |
4 | 0.2154 | 0.0000 | 0.0000 | 0.4100 | Al |
5 | 0.3133 | 0.1420 | 0.2500 | 0.6800 | Al |
6 | 0.4083 | 0.0000 | 0.0000 | 0.4100 | Al |
7 | 0.4018 | 0.3528 | 0.2500 | 0.4400 | Si |
8 | 0.1767 | 0.3339 | 0.2500 | 0.6700 | Si |
9 | 0.0000 | 0.3444 | 0.2500 | 0.6800 | B=0.5580, Si=0.4420 |
10 | 0.2244 | 0.0453 | 0.2500 | 0.5000 | O |
11 | 0.4032 | 0.0470 | 0.2500 | 0.4600 | O |
12 | 0.4016 | 0.2356 | 0.2500 | 0.7800 | O |
13 | 0.1377 | 0.0999 | -0.0516 | 0.7300 | O |
14 | 0.2313 | 0.2370 | 0.2500 | 1.0900 | O |
15 | 0.3166 | 0.0959 | -0.0488 | 0.6000 | O |
16 | 0.0806 | 0.2848 | 0.2500 | 0.9400 | O |
17 | 0.5000 | 0.0888 | -0.0570 | 0.6000 | O |
18 | 0.0000 | 0.1134 | -0.2500 | 1.1600 | O |
19 | 0.0000 | 0.0873 | 0.2500 | 0.8100 | OH |