╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.6210 | 0.2500 | 0.4777 | 0.0000 | Cd |
2 | -0.0063 | -0.0011 | 0.2492 | 0.0000 | Cu |
3 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Cu |
4 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Cu |
5 | 0.3153 | 0.1365 | 0.1817 | 0.0000 | S |
6 | 0.5091 | 0.1483 | 0.0308 | 0.0000 | O |
7 | 0.0796 | 0.1513 | 0.0758 | 0.0000 | O |
8 | 0.3176 | 0.0715 | 0.2452 | 0.0000 | O |
9 | 0.3495 | 0.1741 | 0.3831 | 0.0000 | O |
10 | 0.1728 | -0.0398 | 0.4960 | 0.0000 | OH |
11 | -0.1747 | 0.0381 | -0.0024 | 0.0000 | OH |
12 | 0.6209 | -0.0445 | 0.2568 | 0.0000 | OH |
13 | 0.8296 | 0.2500 | 0.1827 | 0.0000 | H2O |
14 | 0.4391 | 0.2500 | 0.7900 | 0.0000 | H2O |
15 | 0.9092 | 0.3265 | 0.6148 | 0.0000 | H2O |
16 | 0.1790 | -0.0700 | 0.4830 | 0.0000 | H |
17 | -0.1800 | 0.0720 | 0.0030 | 0.0000 | H |
18 | 0.5660 | -0.0750 | 0.2460 | 0.0000 | H |
19 | 0.8890 | 0.2770 | 0.1660 | 0.0000 | H |
20 | 0.4670 | 0.2750 | 0.8740 | 0.0000 | H |
21 | 0.0390 | 0.3270 | 0.5400 | 0.0000 | H |
22 | 0.9530 | 0.3320 | 0.7500 | 0.0000 | H |