N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1267 | 0.2675 | 0.1461 | 0.3800 | Mg=0.9100, Fe=0.0900 |
2 | 0.1224 | 0.3013 | 0.6413 | 0.8200 | Mg=0.8110, Fe=0.1890 |
3 | 0.1264 | 0.3357 | 0.1458 | 0.3000 | Mg=0.9160, Fe=0.0840 |
4 | 0.1243 | 0.3715 | 0.6423 | 0.3300 | Mg=0.9720, Fe=0.0280 |
5 | 0.1233 | 0.4044 | 0.1414 | 0.4100 | Mg=0.8050, Fe=0.1950 |
6 | 0.2704 | 0.2668 | 0.8090 | 0.3600 | Si |
7 | 0.2691 | 0.3344 | 0.8169 | 0.4400 | Si |
8 | 0.2732 | 0.3682 | 0.3168 | 0.4300 | Si |
9 | 0.4811 | 0.2670 | 0.5184 | 0.4900 | Si |
10 | 0.4816 | 0.3334 | 0.5245 | 0.3500 | Si |
11 | 0.4755 | 0.3678 | 0.0279 | 0.4300 | Si |
12 | 0.1835 | 0.3005 | 0.3086 | 0.5900 | OH |
13 | 0.5695 | 0.3015 | 0.0181 | 0.4400 | OH |
14 | 0.2990 | 0.2499 | 0.5616 | -0.0300 | O |
15 | 0.1823 | 0.2672 | 0.8112 | -0.0600 | O |
16 | 0.2976 | 0.3002 | 0.8001 | 0.7400 | O |
17 | 0.1817 | 0.3350 | 0.8120 | 0.6900 | O |
18 | 0.2992 | 0.3490 | 0.0750 | 0.9200 | O |
19 | 0.3023 | 0.3521 | 0.5806 | 0.9100 | O |
20 | 0.1836 | 0.3694 | 0.3130 | 0.6400 | O |
21 | 0.3133 | 0.3982 | 0.3317 | 0.3700 | O |
22 | 0.4523 | 0.2468 | 0.2777 | 0.9700 | O |
23 | 0.5645 | 0.2664 | 0.5191 | 0.2800 | O |
24 | 0.4503 | 0.3001 | 0.4841 | 0.3900 | O |
25 | 0.5667 | 0.3349 | 0.5234 | 0.5100 | O |
26 | 0.4497 | 0.3551 | 0.3010 | 0.4300 | O |
27 | 0.4505 | 0.3454 | 0.7945 | 0.6900 | O |
28 | 0.5599 | 0.3688 | 0.0326 | 0.6200 | O |
29 | 0.4345 | 0.3980 | 0.9645 | 0.6800 | O |
30 | 0.3718 | 0.5000 | 0.1485 | 0.8200 | Mg=0.7860, Fe=0.2140 |
31 | 0.3771 | 0.4654 | 0.6443 | 0.3000 | Mg=0.9430, Fe=0.0570 |
32 | 0.3749 | 0.4296 | 0.1489 | 0.3300 | Mg=0.9830, Fe=0.0170 |
33 | 0.3752 | 0.3963 | 0.6457 | 0.4100 | Mg=0.2870, Fe=0.7130 |
34 | 0.2302 | 0.4663 | 0.3203 | 0.4400 | Si |
35 | 0.2282 | 0.4323 | 0.8125 | 0.4300 | Si |
36 | 0.5201 | 0.4664 | 0.9796 | 0.3500 | Si |
37 | 0.5244 | 0.4336 | 0.4787 | 0.4300 | Si |
38 | 0.3187 | 0.5000 | 0.8117 | 0.5900 | OH |
39 | 0.4337 | 0.5000 | 0.4778 | 0.4400 | OH |
40 | 0.2017 | 0.5000 | 0.3064 | 0.7400 | O |
41 | 0.3154 | 0.4647 | 0.3101 | 0.6900 | O |
42 | 0.2009 | 0.4522 | 0.5770 | 0.9200 | O |
43 | 0.1974 | 0.4476 | 0.0804 | 0.9100 | O |
44 | 0.3119 | 0.4316 | 0.8201 | 0.6400 | O |
45 | 0.1858 | 0.4004 | 0.8281 | 0.3700 | O |
46 | 0.5442 | 0.5000 | 0.0268 | 0.3900 | O |
47 | 0.4294 | 0.4653 | 0.9804 | 0.5100 | O |
48 | 0.5513 | 0.4457 | 0.1995 | 0.4300 | O |
49 | 0.5480 | 0.4553 | 0.7028 | 0.6900 | O |
50 | 0.4357 | 0.4309 | 0.4738 | 0.6200 | O |
51 | 0.5684 | 0.4035 | 0.5367 | 0.6800 | O |