╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.2032 | 0.0000 | 0.5000 | 1.1000 | Cu=0.5000 |
2 | 0.7986 | 0.0000 | 0.5000 | 1.3000 | Cu=0.5000 |
3 | 0.3595 | 0.0149 | 0.2500 | 1.6000 | Cu=0.5000 |
4 | 0.3591 | 0.3415 | 0.2500 | 0.8000 | Cu=0.5000 |
5 | 0.3349 | 0.1678 | 0.7500 | 1.2000 | Cu=0.5000 |
6 | 0.5012 | 0.0000 | 0.5000 | 1.2000 | Cu=0.5000 |
7 | 0.0000 | 0.0000 | 0.0000 | 1.2600 | Cu=0.0480 |
8 | 0.6667 | 0.3333 | 0.2500 | 2.0000 | S=0.1330, N=0.0340 |
9 | 0.2767 | 0.1418 | 0.2500 | 0.9000 | (Cl)=0.5000 |
10 | 0.5620 | 0.4510 | 0.7500 | 1.8000 | (Cl)=0.1670, OH=0.3330 |
11 | 0.4510 | 0.0770 | 0.0920 | 0.5000 | OH |
12 | 0.4500 | 0.3660 | 0.0880 | 0.2000 | OH |
13 | 0.3240 | 0.0670 | 0.6150 | 0.0000 | OH |
14 | 0.3290 | 0.2540 | 0.5990 | 0.9000 | OH |
15 | 0.1520 | 0.0800 | 0.5940 | 1.8000 | OH |
16 | 0.6360 | 0.2680 | 0.1184 | 2.5000 | O=0.2670 |
17 | 0.6220 | 0.3960 | 0.2500 | 2.5000 | O=0.1330 |
18 | 0.7750 | 0.3960 | 0.2500 | 2.5000 | O=0.1330 |
19 | 0.6220 | 0.2440 | 0.2500 | 2.5000 | O=0.1000 |
20 | 0.5120 | 0.2580 | 0.6950 | 5.6000 | OH=0.5000 |