N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.4524 | 0.3281 | 1.0100 | Si=0.8500, Al=0.1500 |
2 | 0.0000 | 0.5440 | 0.4396 | 1.1800 | Si=0.8500, Al=0.1500 |
3 | 0.7919 | 0.3604 | 0.3728 | 1.2800 | Si=0.8500, Al=0.1500 |
4 | 0.7917 | 0.6392 | 0.4694 | 1.1300 | Si=0.8500, Al=0.1500 |
5 | 0.0000 | 0.1806 | 0.4414 | 1.0700 | Si=0.8500, Al=0.1500 |
6 | 0.0000 | 0.7321 | 0.4365 | 1.0100 | Si=0.8500, Al=0.1500 |
7 | 0.0000 | 0.2697 | 0.3272 | 1.1500 | Si=0.8500, Al=0.1500 |
8 | 0.0000 | 0.8252 | 0.3289 | 1.0200 | Si=0.8500, Al=0.1500 |
9 | 0.0000 | 0.4692 | 0.2500 | 3.4100 | O |
10 | 0.0000 | 0.5113 | 0.3679 | 3.9700 | O |
11 | 0.1367 | 0.4160 | 0.3453 | 3.7400 | O |
12 | 0.0000 | 0.5000 | 0.5000 | 5.6600 | O |
13 | 0.8630 | 0.5836 | 0.4415 | 3.9700 | O |
14 | 0.1958 | 0.3583 | 0.4512 | 5.0400 | O |
15 | 0.6325 | 0.3623 | 0.3488 | 3.1600 | O |
16 | 0.8661 | 0.3057 | 0.3415 | 3.4700 | O |
17 | 0.3663 | 0.6374 | 0.4453 | 2.3400 | O |
18 | 0.8655 | 0.6932 | 0.4377 | 3.0300 | O |
19 | 0.0000 | 0.2124 | 0.3685 | 2.9300 | O |
20 | 0.0000 | 0.7751 | 0.4970 | 3.0900 | O |
21 | 0.0000 | 0.7648 | 0.3666 | 2.3900 | O |
22 | 0.0000 | 0.2515 | 0.2500 | 3.2800 | O |
23 | 0.0000 | 0.8123 | 0.2500 | 4.0100 | O |
24 | 0.0000 | 0.0458 | 0.4442 | 0.7000 | Na=0.4700 |
25 | 0.0000 | 0.0403 | 0.2500 | 1.6000 | Ca=0.7200 |
26 | 0.3578 | 0.4603 | 0.2500 | 9.8000 | Ca=0.9800 |
27 | 0.1457 | 0.0399 | 0.3495 | 9.5000 | Ca=0.7400 |
28 | 0.0000 | 0.6982 | 0.2500 | 9.5000 | Ca=0.5600 |
29 | 0.0000 | 0.9509 | 0.4405 | 9.5000 | Na=0.5600 |
30 | 0.9089 | 0.1288 | 0.2500 | 9.5000 | Na=0.5600 |
31 | 0.3519 | 0.4804 | 0.4598 | 8.2000 | Na=0.3700 |
32 | 0.0000 | 0.9651 | 0.3547 | 4.1000 | Na=0.2600 |
33 | 0.0000 | 0.5972 | 0.2500 | 11.8000 | Na=0.5600 |
34 | 0.3056 | 0.1983 | 0.2500 | 9.5000 | Na=0.4800 |
35 | 0.1901 | 0.0815 | 0.1907 | 8.7000 | Na=0.2000 |