N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3617 | 0.5955 | 0.0824 | 0.0000 | Mg=0.9300, Mn=0.0700 |
2 | 0.4301 | 0.6141 | 0.4240 | 0.0000 | Al |
3 | 0.6996 | 0.3417 | 0.1983 | 0.0000 | Al |
4 | 0.0887 | 0.2442 | 0.5241 | 0.0000 | S |
5 | 0.9799 | 0.4623 | 0.3886 | 0.0000 | S |
6 | 0.1459 | 0.1957 | 0.2554 | 0.0000 | S |
7 | 0.1596 | 0.4735 | 0.1022 | 0.0000 | S |
8 | 0.1620 | 0.2171 | 0.4685 | 0.0000 | O |
9 | 0.0390 | 0.3032 | 0.5060 | 0.0000 | O |
10 | -0.1047 | 0.2196 | 0.5413 | 0.0000 | O |
11 | 0.2798 | 0.2426 | 0.5773 | 0.0000 | O |
12 | 0.0335 | 0.4340 | 0.3310 | 0.0000 | O |
13 | 0.9274 | 0.5210 | 0.3722 | 0.0000 | O |
14 | 0.1796 | 0.4587 | 0.4379 | 0.0000 | O |
15 | 0.7881 | 0.4370 | 0.4082 | 0.0000 | O |
16 | 0.1509 | 0.1821 | 0.3232 | 0.0000 | O |
17 | 0.2149 | 0.2543 | 0.2491 | 0.0000 | O |
18 | -0.0803 | 0.1899 | 0.2197 | 0.0000 | O |
19 | 0.3039 | 0.1616 | 0.2288 | 0.0000 | O |
20 | 0.1632 | 0.4388 | 0.1609 | 0.0000 | O |
21 | 0.2281 | 0.4365 | 0.0533 | 0.0000 | O |
22 | -0.0659 | 0.4921 | 0.0812 | 0.0000 | O |
23 | 0.3108 | 0.5194 | 0.1156 | 0.0000 | O |
24 | 0.6861 | 0.5911 | 0.1187 | 0.0000 | H2O |
25 | 0.3388 | 0.6314 | 0.1670 | 0.0000 | H2O |
26 | 0.4270 | 0.6667 | 0.0405 | 0.0000 | H2O |
27 | 0.0497 | 0.6116 | 0.0508 | 0.0000 | H2O |
28 | 0.3912 | 0.5589 | -0.0006 | 0.0000 | H2O |
29 | 0.4861 | 0.5548 | 0.3687 | 0.0000 | H2O |
30 | 0.1246 | 0.6174 | 0.3866 | 0.0000 | H2O |
31 | 0.5764 | 0.6622 | 0.3741 | 0.0000 | H2O |
32 | 0.3407 | 0.6758 | 0.4702 | 0.0000 | H2O |
33 | 0.7324 | 0.6062 | 0.4596 | 0.0000 | H2O |
34 | 0.3432 | 0.5602 | 0.4802 | 0.0000 | H2O |
35 | 0.5275 | 0.3426 | 0.1147 | 0.0000 | H2O |
36 | 0.9699 | 0.3185 | 0.1765 | 0.0000 | H2O |
37 | 0.5918 | 0.2680 | 0.2072 | 0.0000 | H2O |
38 | 0.8348 | 0.3422 | 0.2873 | 0.0000 | H2O |
39 | 0.4137 | 0.3626 | 0.2124 | 0.0000 | H2O |
40 | 0.7580 | 0.4184 | 0.1884 | 0.0000 | H2O |
41 | 0.7474 | 0.2636 | 0.3532 | 0.0000 | H2O |
42 | 0.2687 | 0.5329 | 0.2712 | 0.0000 | H2O |
43 | 0.6925 | 0.5153 | 0.2283 | 0.0000 | H2O |
44 | 0.3875 | 0.4069 | 0.3387 | 0.0000 | H2O |
45 | 0.4065 | 0.2859 | 0.4173 | 0.0000 | H2O |