╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mg |
2 | 0.0000 | 0.2180 | 0.2500 | 0.0000 | Ca |
3 | 0.0996 | 0.9579 | 0.1497 | 0.0000 | B |
4 | 0.4049 | 0.3513 | 0.1422 | 0.0000 | B |
5 | 0.0553 | 0.6367 | 0.1659 | 0.0000 | B |
6 | -0.0157 | -0.0147 | 0.1634 | 0.0000 | O |
7 | 0.1222 | 0.0084 | 0.0762 | 0.0000 | OH |
8 | 0.1610 | 0.0704 | 0.1996 | 0.0000 | OH |
9 | 0.1330 | 0.7674 | 0.1610 | 0.0000 | O |
10 | -0.0545 | 0.6667 | 0.1582 | 0.0000 | O |
11 | 0.0862 | 0.4595 | 0.1783 | 0.0000 | OH |
12 | 0.2988 | 0.3776 | 0.1759 | 0.0000 | OH |
13 | 0.3881 | 0.3633 | 0.0647 | 0.0000 | OH |
14 | 0.4423 | 0.7471 | 0.0374 | 0.0000 | H2O |
15 | 0.3604 | 0.8276 | 0.1683 | 0.0000 | H2O |
16 | 0.1642 | 0.4507 | 0.0217 | 0.0000 | H2O |
17 | 0.1960 | -0.0200 | 0.0640 | 0.0000 | H |
18 | 0.2130 | 0.1580 | 0.1840 | 0.0000 | H |
19 | 0.1638 | 0.4440 | 0.1750 | 0.0000 | H |
20 | 0.3070 | 0.4200 | 0.2240 | 0.0000 | H |
21 | 0.3670 | 0.2500 | 0.0450 | 0.0000 | H |
22 | 0.4110 | 0.7480 | 0.0827 | 0.0000 | H |
23 | 0.4080 | 0.8490 | 0.0180 | 0.0000 | H |
24 | 0.2832 | 0.8060 | 0.1720 | 0.0000 | H |
25 | 0.3690 | 0.9550 | 0.1680 | 0.0000 | H |
26 | 0.1190 | 0.3990 | 0.0560 | 0.0000 | H |
27 | 0.2310 | 0.4850 | 0.0450 | 0.0000 | H |