N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4049 | 0.0736 | 0.8324 | 0.0000 | Ca=0.8300, Mn=0.0970, Sr=0.0730 |
2 | 0.1843 | 0.8157 | 0.8302 | 0.0000 | Fe=0.4170, Mn=0.3070 |
3 | 0.1614 | 0.8386 | 0.8362 | 0.0000 | Fe=0.2270 |
4 | 0.0000 | 0.0000 | 0.1317 | 0.0000 | Nb=0.9700 |
5 | 0.0000 | 0.0000 | 0.9226 | 0.0000 | Si=0.4500 |
6 | 0.0000 | 0.0000 | 0.8714 | 0.0000 | Nb=0.3000 |
7 | 0.7641 | 0.2359 | 0.9933 | 0.0000 | Na=0.8870, K=0.0570, Ca=0.0570 |
8 | 0.5630 | 0.4370 | 0.6760 | 0.0000 | Na |
9 | 0.9032 | 0.0968 | 0.7850 | 0.0000 | Na=0.6330, Sr=0.3670 |
10 | 0.4335 | 0.5665 | 0.8824 | 0.0000 | Sr=0.8230, Na=0.1770 |
11 | 0.2654 | 0.7346 | 0.6885 | 0.0000 | Na=0.8530 |
12 | 0.5024 | 0.4976 | 0.0000 | 0.0000 | Zr=0.9600, Hf=0.0170, Sn=0.0100 |
13 | 0.7371 | 0.2629 | 0.7501 | 0.0000 | Si |
14 | 0.5966 | 0.4034 | 0.9137 | 0.0000 | Si |
15 | 0.4600 | 0.5400 | 0.7555 | 0.0000 | Si |
16 | 0.8758 | 0.1242 | 0.9084 | 0.0000 | Si |
17 | 0.0568 | 0.3275 | 0.7358 | 0.0000 | Si |
18 | 0.2751 | -0.0620 | 0.9308 | 0.0000 | Si |
19 | 0.6056 | 0.3944 | 0.7530 | 0.0000 | O |
20 | 0.7782 | 0.2218 | 0.7898 | 0.0000 | O |
21 | 0.7646 | 0.2354 | 0.7009 | 0.0000 | O |
22 | 0.7287 | 0.2713 | 0.9076 | 0.0000 | O |
23 | 0.5509 | 0.4491 | 0.8768 | 0.0000 | O |
24 | 0.9071 | 0.0929 | 0.6302 | 0.0000 | O |
25 | 0.3894 | -0.0400 | 0.7251 | 0.0000 | O |
26 | 0.4852 | 0.5148 | 0.8047 | 0.0000 | O |
27 | 0.3960 | 0.6040 | 0.7538 | 0.0000 | O |
28 | 0.2825 | 0.0547 | 0.9406 | 0.0000 | O |
29 | 0.8467 | 0.1533 | 0.8615 | 0.0000 | O |
30 | 0.9408 | 0.0592 | 0.9025 | 0.0000 | O |
31 | 0.7007 | 0.1030 | 0.6251 | 0.0000 | O |
32 | 0.2904 | 0.9243 | 0.8789 | 0.0000 | O |
33 | 0.1577 | 0.8423 | 0.9496 | 0.0000 | O |
34 | 0.2537 | 0.2267 | 0.7065 | 0.0000 | O |
35 | 0.0471 | 0.3044 | 0.7881 | 0.0000 | O |
36 | 0.1793 | 0.8207 | 0.7195 | 0.0000 | O |
37 | 0.2693 | 0.7307 | 0.8326 | 0.0000 | O=0.9270 |
38 | 0.0000 | 0.0000 | 0.2722 | 0.0000 | (Cl)=0.9100 |
39 | 0.0000 | 0.0000 | 0.7263 | 0.0000 | (Cl)=0.4150 |
40 | 0.0000 | 0.0000 | 0.9733 | 0.0000 | O=0.5000 |
41 | 0.0000 | 0.0000 | 0.0230 | 0.0000 | O=0.2200 |
42 | -0.1430 | -0.0715 | 0.8329 | 0.0000 | O=0.3000 |
43 | 0.0000 | 0.0000 | 0.7590 | 0.0000 | (Cl)=0.4150 |