N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3333 | 0.6667 | 0.2500 | 0.0000 | Bi |
2 | 0.4107 | 0.0964 | 0.4972 | 0.0000 | Cu |
3 | 0.6565 | 0.1497 | 0.2500 | 0.0000 | As |
4 | 0.7991 | 0.2138 | 0.2500 | 0.0000 | O |
5 | 0.6092 | 0.0079 | 0.2500 | 0.0000 | O |
6 | 0.6045 | 0.1787 | 0.4816 | 0.0000 | O |
7 | 0.3699 | -0.0097 | 0.2500 | 0.0000 | OH |
8 | 0.4427 | 0.1970 | 0.7500 | 0.0000 | OH |
9 | 0.0100 | 0.1790 | 0.2500 | 0.0000 | H2O=0.1667 |
10 | 0.1850 | 0.0680 | 0.0120 | 0.0000 | H2O=0.1667 |
11 | 0.1590 | 0.2040 | 0.1040 | 0.0000 | H2O=0.0833 |
12 | 0.1900 | 0.1130 | 0.1120 | 0.0000 | H2O=0.0833 |
13 | 0.1750 | 0.1610 | -0.0070 | 0.0000 | H2O=0.0833 |