╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.2475 | 0.2193 | 0.1923 | 0.5400 | Ca=0.9900 |
2 | 0.0000 | 0.0251 | 0.2500 | 0.8800 | Ca=0.9800 |
3 | 0.2982 | 0.3996 | 0.4875 | 0.2500 | Al=0.9900 |
4 | 0.0000 | 0.6575 | 0.2500 | 0.8500 | S=0.9600 |
5 | 0.1404 | 0.1227 | 0.3473 | 0.4000 | F |
6 | 0.4070 | 0.4524 | 0.4271 | 0.8000 | F |
7 | 0.2649 | 0.4027 | 0.0280 | 0.4000 | F |
8 | 0.2340 | 0.4388 | 0.3220 | 0.8000 | F |
9 | 0.4183 | 0.2612 | 0.1906 | 0.7000 | O |
10 | 0.4702 | 0.0585 | 0.3622 | 1.2000 | O |
11 | 0.0724 | 0.2613 | 0.1167 | 1.1000 | H2O |
12 | 0.3062 | 0.1869 | 0.4363 | 0.5000 | OH=0.8700, F=0.1700 |
13 | 0.0640 | 0.2460 | 0.0380 | 3.3000 | H |
14 | 0.0540 | 0.3490 | 0.1280 | 3.1000 | H |
15 | 0.3550 | 0.1540 | 0.4340 | 1.4000 | H |