N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3338 | 0.6662 | 0.0045 | 2.6300 | Y=0.8800, Lu=0.1200 |
2 | 0.3329 | 0.6670 | 0.5078 | 0.8700 | Ca=0.2000, Y=0.8000 |
3 | 0.9947 | 0.2422 | 0.2590 | 1.7900 | Y=0.9300, Lu=0.0700 |
4 | 0.2423 | 0.2473 | 0.7570 | 1.7500 | Y=0.9400, Lu=0.0600 |
5 | 0.2473 | 0.0050 | 0.2570 | 1.8500 | Y=0.9500, Lu=0.0500 |
6 | 0.0260 | 0.6270 | 0.2500 | 1.0100 | Si |
7 | 0.3727 | 0.3992 | 0.2740 | 1.1100 | Si |
8 | 0.6010 | 0.9738 | 0.2501 | 1.1200 | Si |
9 | 0.8321 | 0.5071 | 0.2590 | 2.4000 | O |
10 | 0.4910 | 0.3220 | 0.2750 | 2.7000 | O |
11 | 0.6751 | 0.1690 | 0.2550 | 2.4000 | O |
12 | 0.4030 | 0.8704 | 0.2380 | 1.6000 | O |
13 | 0.4680 | 0.5960 | 0.2360 | 1.4000 | O |
14 | 0.1300 | 0.5336 | 0.2880 | 1.8000 | O |
15 | 0.6280 | 0.8960 | 0.0620 | 1.8000 | O |
16 | 0.6860 | 0.9250 | 0.4420 | 2.3000 | O |
17 | 0.2660 | 0.3670 | 0.0610 | 1.5000 | O |
18 | 0.2370 | 0.3100 | 0.4380 | 3.1000 | O |
19 | 0.0751 | 0.7610 | 0.0850 | 2.3000 | O |
20 | 0.1020 | 0.7330 | 0.4680 | 1.9000 | O |
21 | 0.0002 | 0.9970 | 0.2310 | 5.3000 | F=0.9300, OH=0.0700 |