N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3911 | 0.2199 | 0.4560 | 0.0000 | I |
2 | 0.2010 | 0.0390 | 0.4585 | 0.0000 | O |
3 | 0.4890 | 0.1680 | 0.4097 | 0.0000 | O |
4 | 0.4820 | 0.1740 | 0.5060 | 0.0000 | O |
5 | 0.3188 | 0.2992 | 0.3243 | 0.0000 | Se |
6 | 0.2860 | 0.4270 | 0.2975 | 0.0000 | O |
7 | 0.2230 | 0.1260 | 0.3031 | 0.0000 | O |
8 | 0.5000 | 0.3650 | 0.3204 | 0.0000 | O |
9 | 0.2740 | 0.2940 | 0.3801 | 0.0000 | O |
10 | 0.3834 | 0.0000 | 0.2500 | 0.0000 | K |
11 | 0.0000 | 0.0000 | 0.1212 | 0.0000 | Na=0.1500, K=0.8500 |
12 | 0.3333 | 0.6667 | 0.3338 | 0.0000 | Na |
13 | 0.0000 | 0.0000 | 0.2500 | 0.0000 | Na |
14 | 0.3333 | 0.6667 | 0.1391 | 0.0000 | Mg |
15 | 0.3333 | 0.6667 | 0.4480 | 0.0000 | Mg |
16 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mg |
17 | 0.6620 | 0.4970 | 0.0987 | 0.0000 | H2O |