╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.0000 | 0.2500 | 0.2438 | 0.5100 | Ca |
2 | 0.3383 | 0.5705 | 0.9089 | 0.5600 | Ca |
3 | 0.1782 | 0.1193 | 0.4581 | 0.6200 | O |
4 | 0.1384 | 0.2779 | 0.4367 | 0.5400 | O |
5 | 0.3050 | 0.4586 | 0.4095 | 0.7200 | OH |
6 | 0.0107 | 0.4054 | 0.3771 | 0.7400 | OH |
7 | 0.3180 | 0.2910 | 0.3440 | 0.5900 | O |
8 | 0.3435 | 0.1230 | 0.3425 | 0.8200 | OH |
9 | 0.4595 | 0.3663 | 0.1156 | 0.7400 | OH |
10 | 0.2037 | 0.1187 | 0.2046 | 1.0000 | OH |
11 | 0.0186 | 0.1396 | 0.0460 | 1.2200 | H2O |
12 | 0.1994 | 0.3514 | 0.2061 | 0.7200 | OH |
13 | 0.2606 | 0.1680 | 0.3402 | 0.5900 | B |
14 | 0.0916 | 0.1577 | 0.4734 | 0.5300 | B |
15 | 0.2428 | 0.3430 | 0.3488 | 0.5400 | B |
16 | 0.8130 | 0.0060 | 0.1410 | 6.6000 | H |
17 | 0.9770 | 0.0290 | 0.3760 | 8.2000 | H |
18 | 0.4150 | 0.1720 | 0.4050 | 9.8000 | H |
19 | 0.5960 | 0.1710 | 0.1970 | 5.9000 | H |
20 | 0.1420 | 0.1300 | 0.1610 | 9.1000 | H |
21 | 0.5540 | 0.1570 | 0.4710 | 5.7000 | H |
22 | 0.9640 | 0.0750 | 0.0320 | 4.2000 | H |
23 | 0.7660 | 0.1500 | 0.1360 | 8.8000 | H |