N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2500 | 0.2500 | 0.5000 | 0.0000 | Zr=0.8200, Y=0.1600, Nb=0.0600 |
2 | 0.2500 | 0.2500 | 0.0000 | 0.0000 | Zr=0.8200, Y=0.1800 |
3 | 0.2632 | 0.2485 | 0.7511 | 0.0000 | Na=0.9500 |
4 | 0.2658 | 0.0000 | 0.9641 | 0.0000 | Na=0.8400 |
5 | 0.2289 | 0.0000 | 0.4604 | 0.0000 | Na=0.7800 |
6 | 0.4023 | 0.1096 | 0.1218 | 0.0000 | Si |
7 | 0.0977 | 0.1096 | 0.6229 | 0.0000 | Si |
8 | 0.1197 | 0.1118 | 0.8364 | 0.0000 | Si |
9 | 0.3769 | 0.1119 | 0.3353 | 0.0000 | Si |
10 | 0.0495 | 0.2360 | 0.1431 | 0.0000 | Si |
11 | 0.4522 | 0.2334 | 0.6409 | 0.0000 | Si |
12 | 0.1546 | 0.0000 | 0.1072 | 0.0000 | Cs=0.0600, K=0.0600 |
13 | 0.1454 | 0.0000 | 0.3871 | 0.0000 | Cs=0.0800, K=0.1000 |
14 | 0.3490 | 0.0000 | 0.5975 | 0.0000 | Cs=0.0800, K=0.0800 |
15 | 0.4230 | 0.2471 | 0.7489 | 0.0000 | O |
16 | 0.1271 | 0.0000 | 0.8578 | 0.0000 | O |
17 | 0.3244 | 0.1309 | 0.0481 | 0.0000 | O |
18 | 0.1418 | 0.2160 | 0.0893 | 0.0000 | O |
19 | 0.3616 | 0.2127 | 0.5848 | 0.0000 | O |
20 | 0.3689 | 0.0000 | 0.3565 | 0.0000 | O |
21 | 0.4357 | 0.0000 | 0.1189 | 0.0000 | O |
22 | -0.0060 | 0.3279 | 0.1075 | 0.0000 | O |
23 | 0.0165 | 0.1434 | 0.8630 | 0.0000 | O |
24 | 0.1759 | 0.1304 | 0.5494 | 0.0000 | O |
25 | 0.0636 | 0.0000 | 0.6197 | 0.0000 | O |
26 | 0.5061 | 0.3277 | 0.6087 | 0.0000 | O |
27 | 0.5208 | 0.1428 | 0.6344 | 0.0000 | O |
28 | 0.3626 | 0.1323 | 0.2254 | 0.0000 | O |
29 | 0.1373 | 0.1319 | 0.7268 | 0.0000 | O |
30 | 0.1962 | 0.1670 | 0.8924 | 0.0000 | O |
31 | 0.2989 | 0.1673 | 0.3887 | 0.0000 | O |
32 | 0.5181 | 0.0000 | 0.4851 | 0.0000 | H2O=0.5000 |
33 | 0.3534 | 0.0249 | 0.8096 | 0.0000 | H2O=0.4200 |
34 | 0.3552 | 0.0000 | 0.8995 | 0.0000 | H2O=0.5000 |
35 | 0.1438 | 0.0000 | 0.3120 | 0.0000 | H2O=0.7800 |
36 | 0.3556 | 0.0000 | 0.8599 | 0.0000 | H2O=0.4800 |
37 | 0.1386 | 0.0000 | 0.0774 | 0.0000 | H2O=0.8400 |
38 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | H2O=0.2800 |
39 | 0.3708 | 0.0000 | 0.5575 | 0.0000 | H2O=0.4000 |
40 | 0.3338 | 0.0000 | 0.6338 | 0.0000 | H2O=0.3600 |
41 | 0.1730 | 0.0170 | 0.1560 | 0.0000 | H2O=0.1000 |