╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.0322 | 0.8839 | 0.9341 | 0.0000 | Na |
2 | 0.2434 | 0.8832 | 0.9481 | 0.0000 | Mg |
3 | 0.2437 | 0.8881 | 0.3390 | 0.0000 | Mg |
4 | 0.1382 | 0.0534 | 0.1427 | 0.0000 | P |
5 | 0.1432 | 0.7876 | 0.6463 | 0.0000 | P |
6 | 0.1933 | 0.0297 | 0.2903 | 0.0000 | O |
7 | 0.1180 | 0.1703 | 0.1361 | 0.0000 | O |
8 | 0.1870 | 0.0243 | 0.9902 | 0.0000 | O |
9 | 0.0585 | 0.9910 | 0.1507 | 0.0000 | O |
10 | 0.1930 | 0.8130 | 0.1433 | 0.0000 | O |
11 | 0.1599 | 0.6425 | 0.0080 | 0.0000 | O |
12 | 0.1502 | 0.8420 | 0.8054 | 0.0000 | O |
13 | 0.0475 | 0.7451 | 0.1263 | 0.0000 | OH |
14 | 0.9897 | 0.8748 | 0.3494 | 0.0000 | H2O |
15 | 0.1866 | 0.2492 | 0.8895 | 0.0000 | O |
16 | 0.1701 | 0.4291 | 0.1347 | 0.0000 | O |
17 | 0.1730 | 0.4860 | 0.8210 | 0.0000 | H |
18 | 0.1600 | 0.2490 | 0.1790 | 0.0000 | H |
19 | 0.1350 | 0.4480 | 0.0680 | 0.0000 | H |
20 | 0.0050 | 0.6040 | 0.9640 | 0.0000 | H |
21 | 0.1420 | 0.2120 | 0.9590 | 0.0000 | H |
22 | 0.0000 | 0.8200 | 0.3190 | 0.0000 | H |