N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0965 | 0.0000 | 0.2971 | 0.0000 | Mn |
2 | 0.4350 | 0.0000 | 0.2229 | 0.0000 | Mn |
3 | 0.8440 | 0.0000 | 0.3167 | 0.0000 | Mn |
4 | 0.6775 | 0.0000 | 0.1729 | 0.0000 | Mn |
5 | 0.6661 | 0.0000 | 0.4915 | 0.0000 | Mn |
6 | 0.8374 | 0.0000 | 0.0164 | 0.0000 | Mn |
7 | 0.7306 | 0.0000 | 0.3650 | 0.0000 | C |
8 | 0.2858 | 0.0000 | 0.1378 | 0.0000 | C |
9 | 0.7463 | 0.0000 | 0.2973 | 0.0000 | O |
10 | 0.7721 | 0.0000 | 0.4421 | 0.0000 | O |
11 | 0.9187 | 0.0000 | 0.1312 | 0.0000 | O |
12 | 0.1255 | 0.0000 | 0.1893 | 0.0000 | O |
13 | 0.6311 | 0.0000 | 0.0385 | 0.0000 | O |
14 | 0.5353 | 0.0000 | 0.2458 | 0.0000 | O |
15 | 0.3658 | 0.0000 | 0.4023 | 0.0000 | O |
16 | 0.2984 | 0.0000 | 0.0677 | 0.0000 | O |
17 | 0.9331 | 0.0000 | 0.3058 | 0.0000 | O |
18 | 0.1064 | 0.0000 | 0.4269 | 0.0000 | O |
19 | 0.6732 | 0.0000 | 0.3572 | 0.0000 | O |
20 | 0.2288 | 0.0000 | 0.1302 | 0.0000 | O |
21 | 0.3291 | 0.0000 | 0.2131 | 0.0000 | O |
22 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Cl=0.3300 |
23 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | (Cl)=0.3300 |
24 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | (Cl)=0.3300 |
25 | 0.0000 | 0.2625 | 0.5000 | 0.0000 | (Cl)=0.2500 |
26 | 0.0000 | 0.1547 | 0.0000 | 0.0000 | (Cl)=0.2500 |
27 | 0.9600 | 0.0000 | 0.3600 | 0.0000 | H |
28 | 0.5960 | 0.0000 | 0.0190 | 0.0000 | H |
29 | 0.9430 | 0.0000 | 0.1060 | 0.0000 | H |
30 | 0.4010 | 0.0000 | 0.4230 | 0.0000 | H |
31 | 0.0840 | 0.0000 | 0.4530 | 0.0000 | H |
32 | 0.5340 | 0.0000 | 0.1830 | 0.0000 | H |
33 | 0.1090 | 0.0000 | 0.1480 | 0.0000 | H |