N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0568 | 0.2187 | 0.1117 | 0.9900 | Y=0.7600, Dy=0.2400 |
2 | 0.0772 | 0.4523 | 0.3001 | 1.2800 | Ca |
3 | 0.1307 | 0.1469 | 0.6112 | 0.9900 | Si |
4 | 0.1312 | 0.4309 | 0.8389 | 1.0100 | Si |
5 | 0.2500 | 0.1243 | 0.1129 | 1.4600 | C |
6 | 0.1127 | 0.0353 | 0.5569 | 1.3700 | O |
7 | 0.0524 | 0.1707 | 0.7927 | 1.2100 | O |
8 | 0.0954 | 0.2164 | 0.4382 | 1.3700 | O |
9 | 0.2500 | 0.1600 | 0.6729 | 1.4500 | O |
10 | 0.0525 | 0.4196 | 0.6540 | 1.2700 | O |
11 | 0.1111 | 0.3613 | 0.0190 | 1.3200 | O |
12 | 0.2500 | 0.4266 | 0.7571 | 1.3100 | O |
13 | 0.1639 | 0.0817 | 0.1148 | 1.6900 | O |
14 | 0.2500 | 0.2142 | 0.1078 | 1.6500 | O |
15 | 0.2500 | 0.3810 | 0.3625 | 2.1000 | H2O |
16 | 0.2500 | 0.3190 | 0.3350 | 3.0000 | H |
17 | 0.2500 | 0.3690 | 0.5060 | 3.0000 | H |