N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0753 | 0.5000 | 0.2533 | 0.0000 | Pb |
2 | -0.0073 | 0.5000 | 0.2752 | 0.0000 | Pb |
3 | -0.0897 | 0.5000 | 0.3052 | 0.0000 | Pb |
4 | 0.3257 | 0.0000 | 0.3454 | 0.0000 | Pb |
5 | 0.3406 | 0.0000 | 0.1496 | 0.0000 | Pb |
6 | 0.1466 | 0.5000 | 0.0433 | 0.0000 | Pb |
7 | -0.0749 | 0.5000 | 0.1004 | 0.0000 | Pb |
8 | 0.2897 | 0.0000 | 0.4972 | 0.0000 | Pb=0.7500, Sb=0.2500 |
9 | 0.2436 | 0.5000 | 0.3440 | 0.0000 | Pb=0.7500, Sb=0.2500 |
10 | 0.1579 | 0.5000 | 0.2470 | 0.0000 | (Sb)=0.6700, (Pb)=0.3300 |
11 | 0.1327 | 0.0000 | 0.3915 | 0.0000 | (Sb)=0.6700, (Pb)=0.3300 |
12 | 0.0493 | 0.0000 | 0.4032 | 0.0000 | (Sb) |
13 | -0.0307 | 0.0000 | 0.4246 | 0.0000 | (Sb) |
14 | 0.2741 | 0.5000 | 0.1902 | 0.0000 | (Sb) |
15 | 0.2853 | 0.5000 | 0.0135 | 0.0000 | (Sb) |
16 | 0.2083 | 0.0000 | 0.1711 | 0.0000 | (Sb) |
17 | -0.0031 | 0.0571 | 0.0874 | 0.0000 | (Sb)=0.5000 |
18 | -0.0708 | 0.0675 | -0.0655 | 0.0000 | (Sb)=0.5000 |
19 | 0.1658 | 0.5000 | 0.3748 | 0.0000 | (S) |
20 | 0.0852 | 0.5000 | 0.3901 | 0.0000 | (S) |
21 | 0.0081 | 0.5000 | 0.4114 | 0.0000 | (S) |
22 | -0.0689 | 0.5000 | 0.4365 | 0.0000 | (S) |
23 | 0.3559 | 0.0000 | 0.4729 | 0.0000 | (S) |
24 | 0.2971 | 0.5000 | 0.4076 | 0.0000 | (S) |
25 | 0.2670 | 0.0000 | 0.2729 | 0.0000 | (S) |
26 | 0.2816 | 0.0000 | 0.1085 | 0.0000 | (S) |
27 | 0.2894 | 0.0000 | -0.0626 | 0.0000 | (S) |
28 | 0.1960 | 0.0000 | 0.2782 | 0.0000 | (S) |
29 | 0.2366 | 0.0000 | 0.4339 | 0.0000 | (S) |
30 | 0.1165 | 0.0000 | 0.2730 | 0.0000 | (S) |
31 | 0.0349 | 0.0000 | 0.2891 | 0.0000 | (S) |
32 | -0.0460 | 0.0000 | 0.3134 | 0.0000 | (S) |
33 | -0.1250 | 0.0000 | 0.3489 | 0.0000 | (S) |
34 | 0.3225 | 0.5000 | 0.2309 | 0.0000 | (S) |
35 | 0.3346 | 0.5000 | 0.0506 | 0.0000 | (S) |
36 | 0.1589 | 0.0000 | 0.1348 | 0.0000 | (S) |
37 | -0.0997 | 0.5000 | -0.1255 | 0.0000 | (S) |
38 | -0.0385 | 0.5000 | 0.0175 | 0.0000 | (S) |
39 | 0.0236 | 0.5000 | 0.1520 | 0.0000 | (S) |
40 | -0.0354 | 0.0000 | 0.1606 | 0.0000 | (S) |
41 | 0.3915 | 0.5000 | 0.1860 | 0.0000 | (Cl)=0.5000 |
42 | 0.2092 | 0.5000 | 0.2080 | 0.0000 | O=0.5000 |