N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7463 | 0.2608 | 0.7372 | 0.0000 | Ca |
2 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mn=0.9000 |
3 | 0.5000 | 0.0000 | 0.0000 | 0.0000 | Li=0.1700, Mg=0.0500 |
4 | 0.4924 | 0.9916 | 0.6673 | 0.0000 | Mn=0.8100, Fe=0.1300 |
5 | -0.0009 | 0.6702 | 0.9877 | 0.0000 | Mn=0.8100, Fe=0.1300 |
6 | 0.2465 | 0.2740 | 0.7218 | 0.0000 | P |
7 | 0.4818 | 0.6931 | 0.9352 | 0.0000 | P |
8 | -0.0249 | 0.9360 | 0.6947 | 0.0000 | P |
9 | 0.6970 | 0.5060 | 0.1570 | 0.0000 | Be |
10 | 0.7960 | 0.8410 | 0.4950 | 0.0000 | Be |
11 | 0.1953 | 0.9555 | 0.3260 | 0.0000 | O |
12 | 0.6954 | 0.3281 | 0.9555 | 0.0000 | O |
13 | 0.4513 | 0.6185 | 0.8218 | 0.0000 | O |
14 | 0.3269 | 0.3673 | 0.9918 | 0.0000 | O |
15 | 0.6742 | 0.5813 | 0.2846 | 0.0000 | O |
16 | 0.4205 | 0.1690 | 0.7505 | 0.0000 | O |
17 | 0.0737 | 0.2288 | 0.8365 | 0.0000 | O |
18 | 0.5091 | 0.8500 | 0.8673 | 0.0000 | O |
19 | 0.1699 | 0.0091 | 0.6257 | 0.0000 | O |
20 | 0.1627 | 0.2838 | 0.5797 | 0.0000 | O |
21 | 0.9369 | 0.8186 | 0.6281 | 0.0000 | O |
22 | -0.0057 | 0.1255 | 0.1490 | 0.0000 | O |
23 | 0.5632 | 0.8572 | 0.5396 | 0.0000 | OH |
24 | 0.9312 | 0.4649 | 0.1391 | 0.0000 | OH |
25 | 0.7131 | 0.0443 | 0.9543 | 0.0000 | H2O |
26 | 0.2228 | 0.4887 | 0.3263 | 0.0000 | H2O |
27 | 0.2648 | 0.6724 | 0.5170 | 0.0000 | H2O |