N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.8200 | Mg |
2 | 0.3389 | 0.6662 | -0.3192 | 0.6800 | Mg |
3 | 0.2408 | 0.7231 | 0.1371 | 0.5700 | P |
4 | -0.1225 | 0.7114 | -0.2291 | 0.6000 | B |
5 | 0.2271 | 0.8737 | 0.1720 | 0.9600 | O |
6 | 0.4113 | 0.7121 | 0.0108 | 0.9600 | O |
7 | 0.2895 | 0.6351 | 0.3540 | 0.8500 | O |
8 | 0.0099 | 0.6628 | -0.0041 | 0.8200 | O |
9 | -0.1504 | 0.8581 | -0.2279 | 1.0400 | O |
10 | 0.0003 | 0.6912 | -0.3900 | 1.0400 | O |
11 | -0.3354 | 0.6318 | -0.2772 | 0.8300 | O |
12 | -0.2192 | 0.9117 | 0.2092 | 1.4800 | O |
13 | 0.3970 | 0.8785 | -0.3911 | 1.0400 | O |
14 | 0.2677 | 0.4561 | -0.2413 | 1.0200 | O |
15 | 0.2779 | 0.1276 | 0.2859 | 3.1600 | H |
16 | 0.0780 | 0.3599 | 0.4879 | 3.1600 | H |
17 | 0.3240 | 0.4464 | 0.3051 | 3.1600 | H |
18 | 0.6657 | 0.8588 | 0.1447 | 3.1600 | H |
19 | 0.8506 | 0.8667 | 0.3066 | 3.1600 | H |
20 | 0.6524 | 0.0656 | 0.3362 | 3.1600 | H |
21 | 0.3435 | 0.8946 | 0.4792 | 3.1600 | H |
22 | 0.8233 | 0.5581 | 0.1717 | 3.1600 | H |
23 | 0.6279 | 0.5878 | 0.1793 | 3.1600 | H |