N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0200 | -0.0140 | 0.0000 | 0.0400 | Pb=0.1600 |
2 | 0.9978 | 0.4989 | 0.4991 | 0.0200 | Ga |
3 | 0.0000 | 0.0000 | 0.6825 | 0.0100 | As |
4 | 0.0000 | 0.0000 | 0.3011 | 0.0200 | S |
5 | 0.0000 | 0.0000 | 0.5790 | 0.0200 | O |
6 | 0.0000 | 0.0000 | 0.3940 | 0.0200 | O |
7 | 0.7520 | 0.8760 | 0.7196 | 0.0200 | O |
8 | 0.2160 | 0.7840 | 0.9418 | 0.0300 | O |
9 | 0.4550 | 0.9100 | 0.8030 | 0.0300 | OH |
10 | 0.8730 | 0.7460 | 0.8660 | 0.0000 | OH |