N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.2289 | 0.0000 | Ca=0.6200, Na=0.3200 |
2 | 0.1238 | 0.0619 | 0.6319 | 0.0000 | Al=0.3600, Li=0.3300, Fe=0.3100 |
3 | 0.2974 | 0.2605 | 0.6113 | 0.0000 | Al |
4 | 0.1922 | 0.1903 | 0.0000 | 0.0000 | Si |
5 | 0.1094 | 0.2188 | 0.4533 | 0.0000 | B |
6 | 0.0921 | 0.1842 | 0.0727 | 0.0000 | O |
7 | 0.1840 | 0.0920 | 0.0947 | 0.0000 | O |
8 | 0.1968 | 0.1868 | 0.7754 | 0.0000 | O |
9 | 0.2859 | 0.2857 | 0.0813 | 0.0000 | O |
10 | 0.2097 | 0.2702 | 0.4408 | 0.0000 | O |
11 | 0.0000 | 0.0000 | 0.7861 | 0.0000 | F=0.8400 |
12 | 0.0329 | 0.0165 | 0.7970 | 0.0000 | OH=0.0500 |
13 | 0.0600 | 0.1200 | 0.4784 | 0.0000 | O |
14 | 0.2702 | 0.1351 | 0.5097 | 0.0000 | OH=0.7600, O=0.2400 |
15 | 0.2520 | 0.1260 | 0.4150 | 0.0000 | H=0.7600 |