N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4329 | 0.2670 | 0.7542 | 0.0000 | Mn |
2 | 0.0292 | 0.0535 | 0.8906 | 0.0000 | Mn |
3 | 0.2245 | 0.0646 | 0.8536 | 0.0000 | Mn |
4 | 0.1251 | 0.5556 | 0.8777 | 0.0000 | Mn |
5 | 0.3201 | 0.5821 | -0.0029 | 0.0000 | Mn |
6 | 0.3737 | 0.1163 | 0.0719 | 0.0000 | P=0.8800, Si=0.0900, As=0.0300 |
7 | 0.1230 | 0.1934 | 0.1799 | 0.0000 | P=0.8800, Si=0.0900, As=0.0300 |
8 | 0.0486 | 0.7275 | 0.0169 | 0.0000 | OH |
9 | 0.2042 | 0.3842 | 0.7371 | 0.0000 | OH |
10 | 0.0440 | 0.3658 | 0.7560 | 0.0000 | OH |
11 | 0.2165 | 0.7409 | -0.0300 | 0.0000 | OH |
12 | 0.1437 | 0.4287 | 0.2575 | 0.0000 | O |
13 | 0.1273 | 0.2246 | 0.0091 | 0.0000 | O |
14 | 0.1732 | -0.0138 | 0.2280 | 0.0000 | O |
15 | 0.0427 | 0.1159 | 0.2190 | 0.0000 | O |
16 | 0.3760 | 0.1170 | 0.2434 | 0.0000 | O |
17 | 0.2969 | 0.2115 | 0.0201 | 0.0000 | O |
18 | 0.4311 | 0.2926 | 0.0037 | 0.0000 | O |
19 | 0.3909 | 0.8645 | 0.0188 | 0.0000 | O |
20 | 0.0020 | 0.6490 | 0.0170 | 0.0000 | H |
21 | 0.2450 | 0.4870 | 0.7610 | 0.0000 | H |
22 | 0.0740 | 0.3300 | 0.6720 | 0.0000 | H |
23 | 0.2120 | 0.7850 | 0.0720 | 0.0000 | H |