N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3331 | 0.1659 | 0.1883 | 0.9500 | Pb |
2 | 0.3296 | 0.1661 | -0.0167 | 0.0300 | Te |
3 | 0.8330 | 0.6590 | -0.2733 | 0.1200 | Cu |
4 | 0.3260 | 0.6600 | 0.0592 | 0.0600 | Cu |
5 | -0.1770 | 0.6600 | -0.0155 | 0.0500 | Cu |
6 | 0.5750 | 0.4130 | -0.0820 | 0.1000 | O |
7 | 0.0800 | 0.9090 | -0.0840 | 0.2700 | O |
8 | 0.4970 | 0.9800 | -0.0120 | 0.3600 | O |
9 | 0.5760 | 0.4120 | 0.0590 | 0.0600 | O |
10 | 0.1180 | 0.3640 | -0.0150 | 0.8600 | O |
11 | 0.0760 | 0.9110 | 0.0580 | 0.1000 | O |
12 | 0.5610 | 0.9160 | 0.1340 | 0.1500 | OH |
13 | 0.0810 | 0.4130 | 0.1320 | 0.1900 | OH |