N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2053 | 0.2500 | 0.1256 | 0.0100 | U |
2 | 0.2510 | 0.1390 | 0.3752 | 0.0100 | U |
3 | 0.1855 | 0.0619 | 0.1254 | 0.0100 | P |
4 | 0.3250 | 0.2500 | 0.1210 | 0.0400 | O |
5 | 0.0930 | 0.2500 | 0.1280 | 0.0400 | O |
6 | 0.3540 | 0.1390 | 0.3270 | 0.0300 | O |
7 | 0.1470 | 0.1350 | 0.4230 | 0.0300 | O |
8 | 0.1990 | 0.1160 | 0.0390 | 0.0200 | O |
9 | 0.2010 | 0.1150 | 0.2150 | 0.0200 | O |
10 | 0.2520 | 0.0050 | 0.3730 | 0.0200 | O |
11 | 0.0960 | 0.0320 | 0.1250 | 0.0300 | O |
12 | 0.2090 | 0.2500 | 0.2980 | 0.0400 | H2O |
13 | 0.2890 | 0.2500 | 0.4580 | 0.0300 | H2O |
14 | 0.5000 | 0.2500 | 0.2260 | 0.1800 | H2O |
15 | 0.5000 | 0.2500 | 0.4310 | 0.0900 | O |
16 | 0.5000 | 0.2500 | -0.1950 | 0.1600 | O |
17 | 0.5000 | 0.0522 | 0.3001 | 0.0300 | Pb |
18 | 0.5000 | 0.0735 | -0.0228 | 0.0300 | Pb=0.5000 |
19 | 0.5000 | 0.0970 | 0.4760 | 0.0100 | H2O |
20 | 0.5000 | 0.1080 | -0.2310 | 0.0200 | H2O=0.5000 |
21 | 0.5000 | -0.0740 | 0.1660 | 0.0500 | H2O=0.5000 |
22 | 0.3990 | 0.0830 | 0.1260 | 0.0200 | H2O=0.5000 |
23 | -0.4070 | -0.0370 | -0.1060 | 0.0400 | H2O=0.5000 |
24 | 0.5000 | 0.2400 | 0.0190 | 0.1300 | H2O=0.5000 |