N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7500 | 0.2500 | 0.0000 | 0.0000 | Si=0.8030 |
2 | 0.8189 | 0.0407 | 0.8713 | 0.0000 | Si |
3 | 0.9177 | 0.8495 | 0.3646 | 0.0000 | Si |
4 | 0.7500 | 0.2500 | 0.2500 | 0.0000 | Ca |
5 | 0.8110 | 0.0435 | 0.3798 | 0.0000 | Ca |
6 | 0.8992 | 0.8202 | 0.8871 | 0.0000 | Ca |
7 | 0.7500 | 0.7500 | 0.1428 | 0.0000 | Ca=0.5000 |
8 | 0.7500 | 0.7500 | 0.0500 | 0.0000 | Fe=0.5000 |
9 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al |
10 | 0.8881 | 0.1207 | 0.1269 | 0.0000 | Al=0.7800, Mg=0.1700, Fe=0.0460 |
11 | 0.7811 | 0.1714 | 0.0869 | 0.0000 | O |
12 | 0.8835 | 0.1594 | 0.2785 | 0.0000 | O |
13 | 0.9504 | 0.2782 | 0.4233 | 0.0000 | O |
14 | 0.1067 | -0.0627 | 0.0296 | 0.0000 | O |
15 | 0.8305 | 0.0148 | 0.1782 | 0.0000 | O |
16 | 0.8823 | 0.7288 | 0.0590 | 0.0000 | O |
17 | 0.0564 | 0.1750 | 0.3221 | 0.0000 | O |
18 | 0.0906 | 0.0610 | 0.5661 | 0.0000 | O |
19 | 0.8554 | 0.8554 | 0.2500 | 0.0000 | O |
20 | 0.7500 | 0.7500 | 0.8642 | 0.0000 | O |
21 | -0.0047 | 0.0620 | 0.1374 | 0.0000 | F=0.7200, OH=0.2800 |
22 | 0.7500 | 0.7500 | 0.7500 | 0.0000 | H |