╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.2472 | 0.2182 | 0.1927 | 0.6700 | Ca |
2 | 0.0000 | 0.0269 | 0.2500 | 0.7800 | Ca |
3 | 0.2983 | 0.3997 | 0.4876 | 0.5400 | Al |
4 | 0.0000 | 0.6573 | 0.2500 | 0.7300 | S |
5 | 0.1407 | 0.1185 | 0.3468 | 0.9400 | F |
6 | 0.4089 | 0.4540 | 0.4252 | 1.2300 | F |
7 | 0.2650 | 0.4016 | 0.0239 | 0.9100 | F |
8 | 0.2361 | 0.4404 | 0.3213 | 0.9700 | F |
9 | 0.4216 | 0.2610 | 0.1926 | 1.0500 | O |
10 | 0.4666 | 0.0607 | 0.3578 | 1.4100 | O |
11 | 0.0716 | 0.2579 | 0.1167 | 1.2800 | H2O |
12 | 0.3082 | 0.1899 | 0.4379 | 0.6700 | OH |
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 |