N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9267 | 0.9268 | 0.7854 | 0.0000 | Cu |
2 | 0.2500 | 0.2500 | 0.2500 | 0.0000 | Na |
3 | 0.3838 | 0.6162 | 0.6162 | 0.0000 | K=0.6250 |
4 | 0.0923 | 0.9077 | 0.9077 | 0.0000 | C |
5 | 0.8662 | 0.8662 | 0.6339 | 0.0000 | C |
6 | 0.5000 | 0.5000 | 0.5000 | 0.0000 | (Cl) |
7 | 0.7500 | 0.7500 | 0.7500 | 0.0000 | (Cl) |
8 | 0.8746 | 0.0235 | 0.8752 | 0.0000 | O |
9 | 0.8526 | 0.8141 | 0.5739 | 0.0000 | O=0.5000 |
10 | 0.8134 | 0.8531 | 0.5745 | 0.0000 | O=0.5000 |
11 | 0.8527 | 0.8527 | 0.8527 | 0.0000 | O |
12 | -0.0199 | 0.0205 | 0.7250 | 0.0000 | O |
13 | 0.0939 | 0.2500 | 0.2500 | 0.0000 | O |
14 | 0.8160 | 0.8160 | 0.8160 | 0.0000 | H |
15 | 0.0000 | 0.0000 | 0.6670 | 0.0000 | H |
16 | 0.0600 | 0.2100 | 0.2200 | 0.0000 | H |