╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.1569 | 0.0000 | 0.0421 | 0.4900 | Zr |
2 | 0.2444 | 0.5000 | 0.1277 | 0.6000 | P |
3 | 0.5226 | 0.2434 | 0.1695 | 2.8500 | Na |
4 | 0.2910 | 0.0000 | -0.0855 | 0.9900 | C |
5 | 0.1749 | 0.3135 | 0.0501 | 1.0300 | O |
6 | 0.2624 | 0.0000 | 0.2439 | 0.9700 | O |
7 | 0.3756 | 0.5000 | 0.1445 | 1.1300 | O |
8 | 0.6521 | 0.0000 | 0.1516 | 1.7300 | O |
9 | 0.3412 | 0.0000 | 0.0378 | 1.2300 | O |
10 | 0.1721 | 0.0000 | -0.1370 | 1.4900 | O |
11 | 0.0181 | 0.0000 | 0.1062 | 0.8500 | OH |
12 | 0.5085 | 0.0000 | 0.3037 | 1.9000 | H2O |
13 | 0.6304 | 0.5000 | 0.1030 | 1.9100 | H2O |