╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.1310 | 0.4358 | 0.2935 | 0.0000 | Na=0.8000 |
2 | 0.0757 | 0.8310 | 0.0136 | 0.0000 | Mn |
3 | 0.5671 | 0.6937 | 0.1599 | 0.0000 | Mn |
4 | 0.1538 | 0.0823 | 0.5619 | 0.0000 | Mn |
5 | 0.7129 | 0.3634 | 0.1903 | 0.0000 | Mn=0.9300, Mg=0.0700 |
6 | 0.7499 | 0.4835 | 0.9689 | 0.0000 | Mn |
7 | 0.3262 | 0.7645 | 0.5880 | 0.0000 | Mn |
8 | 0.4794 | 0.4353 | 0.6140 | 0.0000 | Mn=0.8400, Mg=0.1600 |
9 | 0.6306 | 0.1039 | 0.6374 | 0.0000 | Mn=0.8000, Mg=0.2000 |
10 | 0.1425 | 0.9711 | 0.7869 | 0.0000 | Mn |
11 | 0.1090 | 0.5570 | 0.6490 | 0.0000 | Mg=0.2000 |
12 | 0.8167 | 0.2386 | 0.7693 | 0.0000 | V=0.8900 |
13 | 0.9510 | 0.2970 | 0.7700 | 0.0000 | V=0.1100 |
14 | 0.4550 | 0.7412 | 0.9501 | 0.0000 | Si |
15 | 0.2825 | 0.0474 | 0.9656 | 0.0000 | Si |
16 | 0.0371 | 0.1425 | 0.3656 | 0.0000 | Si |
17 | -0.5200 | 0.1836 | 0.2658 | 0.0000 | Si |
18 | 0.6926 | 0.6304 | 0.5435 | 0.0000 | Si |
19 | 0.9340 | 0.5555 | 0.1366 | 0.0000 | Si |
20 | 0.0804 | 0.2371 | 0.1490 | 0.0000 | Si |
21 | 0.7539 | 0.7385 | 0.3257 | 0.0000 | Si |
22 | 0.8450 | 0.3251 | 0.5500 | 0.0000 | Si |
23 | 0.3109 | 0.6926 | 0.9527 | 0.0000 | O |
24 | 0.4944 | 0.4802 | 0.7588 | 0.0000 | OH |
25 | 0.5457 | 0.6038 | 0.5341 | 0.0000 | O |
26 | -0.0682 | 0.2056 | 0.1429 | 0.0000 | O |
27 | -0.0988 | 0.0925 | 0.3562 | 0.0000 | O |
28 | 0.1432 | 0.0098 | 0.9403 | 0.0000 | O |
29 | 0.6968 | 0.2872 | 0.5556 | 0.0000 | O |
30 | 0.2692 | 0.5927 | 0.6638 | 0.0000 | OH |
31 | 0.9164 | 0.1186 | 0.8378 | 0.0000 | O |
32 | -0.3615 | 0.1939 | 0.2723 | 0.0000 | O |
33 | 0.7892 | 0.5351 | 0.1161 | 0.0000 | O |
34 | 0.3811 | 0.9364 | 0.5120 | 0.0000 | OH |
35 | 0.1507 | 0.0328 | 0.4170 | 0.0000 | O |
36 | 0.5975 | 0.7299 | 0.3174 | 0.0000 | O |
37 | 0.6667 | 0.1889 | 0.7688 | 0.0000 | O |
38 | 0.5537 | 0.6440 | 0.0175 | 0.0000 | O |
39 | 0.7899 | 0.8761 | 0.3067 | 0.0000 | O |
40 | 0.9266 | 0.2407 | 0.6354 | 0.0000 | O |
41 | 0.7603 | 0.4006 | 0.8198 | 0.0000 | O |
42 | 0.0202 | 0.6468 | 0.0628 | 0.0000 | O |
43 | 0.8117 | 0.4896 | 0.5668 | 0.0000 | O |
44 | 0.0649 | 0.4020 | 0.1387 | 0.0000 | O |
45 | 0.7716 | 0.7015 | 0.4420 | 0.0000 | O |
46 | 0.1109 | 0.1989 | 0.2573 | 0.0000 | O |
47 | 0.3949 | 0.9012 | 0.9902 | 0.0000 | O |
48 | 0.3661 | 0.1245 | 0.8720 | 0.0000 | O=0.5000 |
49 | 0.3661 | 0.1245 | 0.8720 | 0.0000 | OH=0.5000 |
50 | 0.2245 | 0.1509 | 0.0643 | 0.0000 | O |
51 | 0.8894 | 0.6113 | 0.2559 | 0.0000 | O |
52 | -0.5246 | 0.0258 | 0.2672 | 0.0000 | O=0.5000 |
53 | -0.5246 | 0.0258 | 0.2672 | 0.0000 | O=0.5000 |
54 | -0.0300 | 0.2863 | 0.4368 | 0.0000 | O |
55 | 0.6573 | 0.7324 | 0.6382 | 0.0000 | O |
56 | 0.5579 | 0.7320 | 0.8333 | 0.0000 | O |