N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0490 | 0.3482 | 0.3168 | 0.0400 | O |
2 | 0.1130 | 0.6599 | 0.3188 | 0.0400 | O |
3 | 0.0000 | 0.5000 | 0.0000 | 0.0400 | O |
4 | 0.2040 | 0.2291 | 0.0300 | 0.0400 | O |
5 | 0.1970 | 0.7641 | 0.0010 | 0.0400 | O |
6 | 0.0500 | 0.9710 | 0.3250 | 0.0400 | OH |
7 | 0.9600 | 0.1658 | 0.6070 | 0.0400 | OH |
8 | 0.0370 | 0.4726 | 0.6046 | 0.0400 | OH |
9 | 0.0380 | 0.8592 | 0.6090 | 0.0400 | OH |
10 | 0.2890 | 0.4966 | 0.4660 | 0.0400 | Al |
11 | 0.7930 | 0.3288 | 0.4650 | 0.0400 | Al |
12 | 0.9890 | 0.3395 | 0.0906 | 0.0400 | Si |
13 | 0.5070 | 0.1665 | 0.0938 | 0.0400 | Si |
14 | 0.1450 | 0.0651 | 0.3260 | 0.0700 | H |
15 | 0.0630 | 0.1638 | 0.7390 | 0.0500 | H |
16 | 0.0360 | 0.5057 | 0.7320 | 0.0600 | H |
17 | 0.5340 | 0.3154 | 0.7280 | 0.0500 | H |