N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4323 | 0.2697 | 0.7522 | 0.6500 | Mn |
2 | 0.0303 | 0.0544 | 0.8886 | 0.6100 | Mn |
3 | 0.2214 | 0.0712 | 0.8582 | 0.5900 | Mn |
4 | 0.1241 | 0.5587 | 0.8796 | 0.7600 | Mn |
5 | 0.3164 | 0.5804 | 0.0009 | 0.7100 | Mn |
6 | 0.3744 | 0.1117 | 0.0719 | 0.0800 | P |
7 | 0.1243 | 0.1928 | 0.1838 | 0.0100 | P |
8 | 0.0519 | 0.7350 | 0.0215 | 0.9800 | OH |
9 | 0.2025 | 0.3844 | 0.7397 | 0.9600 | OH |
10 | 0.0412 | 0.3676 | 0.7569 | 0.9000 | OH |
11 | 0.2171 | 0.7461 | 0.9718 | 0.9000 | OH |
12 | 0.1461 | 0.4441 | 0.2643 | 0.6200 | O |
13 | 0.1279 | 0.2324 | 0.0012 | 1.0400 | O |
14 | 0.1762 | 0.9723 | 0.2332 | 0.8700 | O |
15 | 0.0380 | 0.0980 | 0.2282 | 1.0000 | O |
16 | 0.3755 | 0.1103 | 0.2508 | 0.9500 | O |
17 | 0.2934 | 0.2187 | 0.0206 | 0.6900 | O |
18 | 0.4342 | 0.3007 | 0.9996 | 0.8700 | O |
19 | 0.3916 | 0.8448 | 0.0155 | 1.0700 | O |