N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2250 | 0.7750 | 0.0128 | 0.0000 | Na=0.6500 |
2 | 0.2542 | 0.7458 | -0.0030 | 0.0000 | Na=0.3700 |
3 | 0.4362 | 0.5637 | 0.3258 | 0.0000 | Na |
4 | 0.1022 | 0.8978 | 0.2148 | 0.0000 | Na |
5 | 0.7386 | 0.2614 | 0.3149 | 0.0000 | Na=0.9300 |
6 | 0.5642 | 0.4358 | 0.1176 | 0.0000 | Ce=0.4400, Sr=0.1700, Ca=0.2000 |
7 | 0.5950 | 0.9258 | 0.1678 | 0.0000 | Ca=0.8700, Pr=0.0800, Mn=0.0600 |
8 | 0.8183 | 0.1817 | 0.1696 | 0.0000 | Mn=0.6600, Fe=0.2500 |
9 | 0.8439 | 0.1561 | 0.1659 | 0.0000 | Mn=0.0700, Fe=0.0200 |
10 | 0.4958 | 0.5042 | 0.0000 | 0.0000 | Zr=0.9000, Ti=0.1000 |
11 | 0.0000 | 0.0000 | 0.8700 | 0.0000 | W=0.8200, Nb=0.1600 |
12 | 0.0000 | 0.0000 | 0.0797 | 0.0000 | Si=0.9600 |
13 | 0.2628 | 0.7372 | 0.2507 | 0.0000 | Si |
14 | -0.2634 | -0.7366 | -0.2466 | 0.0000 | Si |
15 | 0.5402 | 0.4598 | 0.2447 | 0.0000 | Si |
16 | 0.1227 | 0.8773 | 0.0926 | 0.0000 | Si |
17 | 0.9447 | 0.6749 | 0.2636 | 0.0000 | Si |
18 | 0.7237 | 0.0620 | 0.0692 | 0.0000 | Si |
19 | 0.3952 | 0.6048 | 0.2491 | 0.0000 | O |
20 | 0.2232 | 0.7768 | 0.2091 | 0.0000 | O |
21 | 0.2335 | 0.7665 | 0.2982 | 0.0000 | O |
22 | 0.2710 | 0.7290 | 0.0941 | 0.0000 | O |
23 | 0.4500 | 0.5500 | 0.1231 | 0.0000 | O |
24 | 0.0903 | 0.9097 | 0.3690 | 0.0000 | O |
25 | 0.6092 | 0.0383 | 0.2741 | 0.0000 | O |
26 | 0.5168 | 0.4832 | 0.1949 | 0.0000 | O |
27 | 0.6051 | 0.3949 | 0.2491 | 0.0000 | O |
28 | 0.7232 | 0.9488 | 0.0595 | 0.0000 | O |
29 | 0.1550 | 0.8450 | 0.1376 | 0.0000 | O |
30 | 0.0589 | 0.9411 | 0.1020 | 0.0000 | O |
31 | 0.2964 | 0.9009 | -0.6259 | 0.0000 | O |
32 | 0.7045 | 0.0748 | 0.1213 | 0.0000 | O |
33 | 0.8389 | 0.1611 | 0.0508 | 0.0000 | O |
34 | 0.7487 | 0.7743 | 0.2943 | 0.0000 | O |
35 | 0.9582 | 0.7010 | 0.2114 | 0.0000 | O |
36 | 0.8194 | 0.1806 | 0.2793 | 0.0000 | O |
37 | 0.7300 | 0.2700 | 0.1714 | 0.0000 | O |
38 | 0.0000 | 0.0000 | 0.0261 | 0.0000 | O=0.8400 |
39 | 0.0000 | 0.0000 | -0.2644 | 0.0000 | C |
40 | 0.7180 | 0.4360 | 0.0742 | 0.0000 | O |
41 | 0.0000 | 0.0000 | 0.2460 | 0.0000 | (Cl)=0.3700, OH=0.1300 |
42 | 0.0000 | 0.0000 | 0.2524 | 0.0000 | (Cl)=0.3700, OH=0.1300 |