N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1572 | 0.1374 | 0.0791 | 0.9000 | Si |
2 | -0.1287 | -0.1229 | -0.0428 | 1.7000 | Si |
3 | -0.1380 | -0.1058 | 0.3970 | 1.0000 | Si |
4 | 0.1602 | 0.1414 | 0.6624 | 1.2000 | Si |
5 | 0.1802 | 0.3783 | 0.4897 | 1.2000 | Si |
6 | 0.0695 | 0.7051 | 0.6358 | 1.3000 | Si |
7 | -0.0218 | 0.0291 | -0.0046 | 2.5000 | O |
8 | 0.1023 | 0.2796 | 0.2485 | 2.2000 | O |
9 | -0.0366 | -0.2616 | -0.1835 | 2.1000 | O |
10 | 0.3357 | 0.0605 | 0.1573 | 2.6000 | O |
11 | -0.3354 | -0.1078 | -0.1182 | 2.1000 | O |
12 | -0.0921 | -0.1487 | 0.1810 | 2.9000 | O |
13 | 0.1717 | 0.1939 | -0.0926 | 1.7000 | O |
14 | -0.0323 | 0.0384 | 0.5439 | 2.6000 | O |
15 | -0.0679 | -0.2401 | 0.4612 | 1.5000 | O |
16 | 0.1169 | 0.2931 | 0.6219 | 1.4000 | O |
17 | -0.3558 | -0.0813 | 0.3768 | 1.5000 | O |
18 | 0.3313 | 0.0589 | 0.5923 | 2.3000 | O |
19 | 0.0751 | 0.5289 | 0.5339 | 1.6000 | O |
20 | 0.3995 | 0.3923 | 0.5464 | 2.2000 | O |
21 | 0.2543 | 0.7873 | 0.7148 | 3.7000 | O |
22 | 0.5366 | 0.1658 | 0.4731 | 2.6000 | Ca |
23 | 0.4671 | -0.1608 | 0.5595 | 1.5000 | Ca |
24 | 0.4493 | -0.1628 | 0.0297 | 1.5000 | Ca |
25 | 0.5054 | -0.4210 | -0.0770 | 3.9000 | H2O |
26 | 0.5499 | -0.4132 | 0.4586 | 4.9000 | H2O |
27 | 0.7084 | 0.2084 | 0.8207 | 8.0000 | H2O |
28 | 0.7141 | 0.2183 | 0.2877 | 7.4000 | H2O |
29 | 0.0825 | 0.5093 | 0.0357 | 6.7000 | H2O |
30 | 0.7598 | 0.4588 | 0.1661 | 5.2000 | H2O |
31 | 0.2745 | -0.2432 | 0.2251 | 2.2000 | H2O |