N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1306 | 0.5813 | 0.4467 | 0.0000 | Na |
2 | 0.6243 | 0.2359 | 0.6912 | 0.0000 | Na |
3 | 0.3530 | 0.3468 | 0.8003 | 0.0000 | Ca |
4 | 0.1316 | 0.5790 | 0.9463 | 0.0000 | Ca |
5 | 0.6551 | 0.8490 | 0.7006 | 0.0000 | Ca |
6 | 0.1537 | 0.9684 | 0.4478 | 0.0000 | Ca |
7 | 0.3661 | 0.7193 | 0.8045 | 0.0000 | Nb=0.4850, Zr=0.4500, Ti=0.1000 |
8 | 0.8413 | 0.4574 | 0.0535 | 0.0000 | Nb=0.4850, Zr=0.4500, Ti=0.1000 |
9 | 0.5721 | 0.5315 | 0.6359 | 0.0000 | Si |
10 | 0.4204 | 0.0399 | 0.8038 | 0.0000 | Si |
11 | 0.9345 | 0.7792 | 0.1238 | 0.0000 | Si |
12 | 0.0597 | 0.2809 | 0.4365 | 0.0000 | Si |
13 | 0.4793 | 0.4073 | 0.6178 | 0.0000 | O |
14 | 0.0104 | 0.1383 | 0.3495 | 0.0000 | O |
15 | 0.5183 | 0.6652 | 0.6990 | 0.0000 | O |
16 | 0.4949 | 0.1653 | 0.9178 | 0.0000 | O |
17 | 0.4910 | 0.9025 | 0.8791 | 0.0000 | O |
18 | 0.9724 | 0.4038 | 0.3210 | 0.0000 | O |
19 | 0.7237 | 0.5027 | 0.7729 | 0.0000 | O |
20 | 0.2671 | 0.0427 | 0.7912 | 0.0000 | O |
21 | 0.2062 | 0.3067 | 0.4793 | 0.0000 | O |
22 | 0.9603 | 0.6298 | 0.0741 | 0.0000 | O |
23 | 0.0390 | 0.8813 | 0.0875 | 0.0000 | O |
24 | 0.2540 | 0.7829 | 0.9537 | 0.0000 | O |
25 | 0.0223 | 0.2923 | 0.6374 | 0.0000 | O |
26 | 0.5878 | 0.5622 | 0.4213 | 0.0000 | O |
27 | 0.7928 | 0.8362 | 0.0224 | 0.0000 | O |
28 | 0.2853 | 0.5593 | 0.7754 | 0.0000 | O |
29 | 0.2748 | 0.7841 | 0.5635 | 0.0000 | O |
30 | 0.2598 | 0.5563 | 0.2536 | 0.0000 | F |