N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3450 | 0.0687 | 0.3590 | 0.0000 | Ni |
2 | 0.3447 | 0.4352 | 0.4918 | 0.0000 | Ni |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Ni |
4 | 0.2245 | 0.9797 | 0.1172 | 0.0000 | O |
5 | 0.2479 | 0.6119 | 0.3012 | 0.0000 | H2O |
6 | 0.2381 | 0.9238 | 0.4592 | 0.0000 | H2O |
7 | 0.0088 | 0.1718 | 0.1622 | 0.0000 | O |
8 | 0.0168 | 0.3744 | 0.3059 | 0.0000 | O |
9 | 0.2229 | 0.2569 | 0.3546 | 0.0000 | O |
10 | 0.4308 | 0.1957 | 0.2159 | 0.0000 | O |
11 | 0.4922 | 0.4017 | 0.3785 | 0.0000 | O |
12 | 0.4978 | 0.3969 | 0.1140 | 0.0000 | O |
13 | 0.0822 | 0.2660 | 0.2746 | 0.0000 | C |
14 | 0.4728 | 0.3313 | 0.2356 | 0.0000 | C |
15 | 0.2300 | 0.8960 | 0.1160 | 3.4000 | H |
16 | 0.1630 | 0.6330 | 0.2780 | 3.5000 | H |
17 | 0.2890 | 0.6840 | 0.3560 | 3.3000 | H |
18 | 0.1450 | 0.9110 | 0.3850 | 4.2000 | H |
19 | 0.2430 | 0.9150 | 0.5660 | 4.3000 | H |