╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.4243 | 0.0782 | 0.2100 | 0.0000 | Mg |
2 | 0.0000 | 0.0000 | 0.4533 | 0.0000 | Mg=0.6200 |
3 | 0.0000 | 0.0000 | 0.3403 | 0.0000 | Mg=0.0600 |
4 | 0.3033 | 0.1516 | 0.6911 | 0.0000 | P=0.8000, As=0.1000 |
5 | 0.3260 | 0.1630 | 0.6970 | 0.0000 | P=0.1000 |
6 | 0.6667 | 0.3333 | 0.9934 | 0.0000 | P=0.6200 |
7 | 0.6667 | 0.3333 | 0.1180 | 0.0000 | C=0.3800 |
8 | 0.3787 | 0.1894 | 0.4215 | 0.0000 | O |
9 | 0.1635 | 0.0818 | 0.6493 | 0.0000 | O=0.9000, OH=0.1000 |
10 | 0.3474 | 0.0738 | 0.8521 | 0.0000 | O |
11 | 0.7942 | 0.3971 | 0.0965 | 0.0000 | O |
12 | 0.6667 | 0.3333 | 0.6830 | 0.0000 | OH=0.6200 |
13 | 0.9538 | 0.4769 | 0.5154 | 0.0000 | O |
14 | 0.9030 | 0.4510 | 0.6030 | 0.0000 | H |