N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0601 | 0.7276 | 0.4179 | 0.0000 | Pb |
2 | 0.1470 | 0.7540 | 0.3952 | 0.0000 | Pb |
3 | 0.2083 | 0.6789 | 0.7648 | 0.0000 | As |
4 | 0.3103 | 0.0633 | 0.7214 | 0.0000 | As |
5 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Zn |
6 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Fe |
7 | 0.5000 | 0.5000 | 0.5000 | 0.0000 | Fe |
8 | 0.2360 | 0.1255 | 0.2787 | 0.0000 | Fe=0.7000, Zn=0.3000 |
9 | 0.4902 | 0.4242 | 0.8375 | 0.0000 | Fe=0.7000, Zn=0.3000 |
10 | 0.4640 | 0.8050 | 0.8310 | 0.0000 | O |
11 | 0.1900 | 0.5340 | 0.8270 | 0.0000 | O |
12 | -0.0430 | 0.7580 | 0.8080 | 0.0000 | O |
13 | 0.2210 | 0.6080 | 0.5910 | 0.0000 | O |
14 | 0.3120 | 0.2350 | 0.7020 | 0.0000 | O |
15 | 0.0500 | -0.0430 | 0.6370 | 0.0000 | O |
16 | 0.5450 | -0.0170 | 0.6440 | 0.0000 | O |
17 | 0.3010 | 0.0910 | 0.8920 | 0.0000 | O |
18 | 0.2160 | 0.6740 | 0.1430 | 0.0000 | OH |
19 | 0.3700 | 0.5110 | 0.3160 | 0.0000 | OH |
20 | 0.3110 | 0.3990 | 0.0060 | 0.0000 | OH |
21 | 0.2110 | -0.0510 | 0.0950 | 0.0000 | OH |
22 | 0.2990 | 0.3010 | 0.4540 | 0.0000 | OH |