N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.5000 | 0.0000 | 0.0000 | Mn=0.5200, Zn=0.2700, Fe=0.2100 |
2 | 0.5227 | 0.1844 | 0.1269 | 0.0000 | Ce |
3 | 0.7500 | -0.0739 | 0.3615 | 0.0000 | Ba=0.9500, Sr=0.0300 |
4 | 0.7500 | -0.0421 | -0.1267 | 0.0000 | Ba=0.9500, Sr=0.0300 |
5 | 0.6862 | 0.1908 | 0.1336 | 0.0000 | Ti |
6 | 0.5000 | 0.5000 | 0.3203 | 0.0000 | Na=0.9000, K=0.1200 |
7 | 0.6286 | 0.4743 | 0.1345 | 0.0000 | Si |
8 | 0.6032 | 0.2019 | -0.1689 | 0.0000 | Si |
9 | 0.6137 | 0.1771 | 0.4339 | 0.0000 | Si |
10 | 0.6276 | 0.4057 | -0.3966 | 0.0000 | Si |
11 | 0.6824 | 0.0055 | 0.1150 | 0.0000 | O |
12 | 0.7500 | -0.2997 | 0.5028 | 0.0000 | O |
13 | 0.4374 | 0.0415 | 0.0630 | 0.0000 | O |
14 | 0.7500 | 0.1792 | 0.2640 | 0.0000 | O |
15 | 0.5617 | 0.4176 | 0.1265 | 0.0000 | O |
16 | 0.6357 | 0.5758 | 0.2638 | 0.0000 | O |
17 | 0.6152 | 0.1733 | 0.2667 | 0.0000 | O |
18 | 0.6232 | 0.2081 | -0.0092 | 0.0000 | O |
19 | 0.6822 | 0.3743 | 0.1579 | 0.0000 | O |
20 | 0.6519 | 0.3032 | -0.5138 | 0.0000 | O |
21 | 0.6497 | 0.0507 | 0.4930 | 0.0000 | O |
22 | 0.6302 | 0.3273 | -0.2494 | 0.0000 | O |
23 | 0.5493 | 0.1752 | 0.5065 | 0.0000 | O |
24 | 0.5317 | 0.1985 | -0.1781 | 0.0000 | O |
25 | 0.5000 | 0.5000 | -0.2031 | 0.0000 | F=0.7300, OH=0.2700 |
26 | 0.7500 | 0.6968 | 0.1761 | 0.0000 | H2O |