╧ п/п | x/a | y/b | z/c | B(j) | Заселенность |
---|---|---|---|---|---|
1 | 0.2333 | 0.1317 | 0.2445 | 0.8700 | Ca |
2 | 0.0000 | 0.0000 | 0.0000 | 1.0300 | Mn |
3 | 0.5000 | 0.0000 | 0.0000 | 1.3000 | Mn |
4 | 0.4803 | 0.2468 | 0.0000 | 1.0400 | Mn |
5 | 0.2097 | 0.3003 | 0.5000 | 1.1400 | B |
6 | 0.2331 | 0.4753 | 0.5000 | 0.5700 | B |
7 | 0.3717 | 0.3793 | 0.2929 | 0.7400 | B |
8 | 0.1143 | 0.2091 | 0.5000 | 1.3900 | OH |
9 | 0.1611 | 0.5719 | 0.5000 | 0.8700 | OH |
10 | 0.1287 | 0.3911 | 0.5000 | 0.6800 | O |
11 | 0.3092 | 0.2924 | 0.3550 | 1.3300 | O |
12 | 0.3287 | 0.4695 | 0.3533 | 1.1600 | O |
13 | 0.4724 | 0.3740 | 0.1695 | 0.8700 | O |
14 | 0.2383 | 0.0215 | 0.0000 | 1.0600 | OH |
15 | 0.2290 | 0.2373 | 0.0000 | 1.2500 | OH |
16 | 0.4862 | 0.1229 | 0.1642 | 1.1400 | OH |