N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3333 | 0.6667 | 0.1320 | 2.5000 | Na |
2 | 0.1560 | 0.3149 | 0.7900 | 0.8000 | Na=0.4300 |
3 | 0.2225 | 0.1126 | 0.2940 | 1.6000 | K=0.5000 |
4 | 0.4154 | 0.0841 | 0.7600 | 0.6100 | Si |
5 | 0.4160 | 0.3396 | 0.7630 | 0.6700 | Al |
6 | 0.0000 | 0.0000 | 0.3070 | 0.5000 | S=0.1300 |
7 | 0.4032 | 0.2005 | 0.7040 | 1.1000 | O |
8 | 0.5568 | 0.1275 | 0.7460 | 1.9000 | O |
9 | 0.3292 | 0.3605 | 0.5380 | 1.0000 | O |
10 | 0.3357 | 0.9813 | 0.5590 | 1.5000 | O |
11 | 0.0000 | 0.0000 | 0.5300 | 1.4000 | O=0.1300 |
12 | 0.1180 | 0.0580 | 0.4100 | 2.9000 | O=0.3900 |
13 | 0.6080 | 0.3090 | 0.2020 | 3.9000 | H2O=0.2700 |
14 | 0.6500 | 0.3800 | 0.1800 | 4.2000 | H2O=0.0600 |