N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3325 | 0.1663 | 0.1668 | 0.0000 | Zr |
2 | -0.0001 | 0.2601 | 0.0000 | 0.0000 | Ca |
3 | 0.5260 | 0.2630 | 0.2514 | 0.0000 | Si |
4 | -0.0056 | 0.6036 | 0.0976 | 0.0000 | Si |
5 | 0.2081 | 0.4162 | 0.0770 | 0.0000 | Si |
6 | 0.0827 | 0.5413 | 0.2585 | 0.0000 | Si |
7 | 0.0570 | 0.3267 | 0.2369 | 0.0000 | Si |
8 | 0.1404 | 0.0702 | 0.0826 | 0.0000 | Si |
9 | 0.4790 | 0.2395 | 0.2006 | 0.0000 | O |
10 | 0.2600 | 0.0334 | 0.2085 | 0.0000 | O |
11 | 0.4061 | 0.3047 | 0.1275 | 0.0000 | O |
12 | 0.6052 | 0.3948 | 0.2562 | 0.0000 | O |
13 | 0.4342 | 0.2171 | 0.2884 | 0.0000 | O |
14 | 0.4114 | 0.0338 | 0.0453 | 0.0000 | O |
15 | 0.1011 | 0.3795 | 0.1076 | 0.0000 | O |
16 | 0.0207 | 0.5103 | 0.1150 | 0.0000 | O |
17 | 0.2740 | 0.5480 | 0.0685 | 0.0000 | O |
18 | 0.1809 | 0.3619 | 0.0287 | 0.0000 | O |
19 | 0.0282 | 0.5141 | 0.3052 | 0.0000 | O |
20 | 0.1765 | 0.3539 | 0.2184 | 0.0000 | O |
21 | 0.0443 | 0.3001 | 0.2885 | 0.0000 | O |
22 | 0.3871 | 0.4321 | 0.2271 | 0.0000 | O |
23 | 0.3952 | 0.6048 | 0.2526 | 0.0000 | O |
24 | 0.0618 | 0.1237 | 0.0782 | 0.0000 | O |
25 | 0.1891 | 0.0946 | 0.1312 | 0.0000 | O |
26 | 0.2260 | 0.1130 | 0.0433 | 0.0000 | O |
27 | 0.4928 | 0.5070 | 0.0017 | 0.0000 | Mn=0.5200 |
28 | 0.5200 | 0.4800 | -0.0023 | 0.0000 | Fe=0.4000 |
29 | 0.1340 | 0.2680 | 0.3340 | 0.0000 | Na=0.0800 |
30 | 0.3333 | 0.6667 | 0.2454 | 0.0000 | Si=0.3800 |
31 | 0.3333 | 0.6667 | 0.2839 | 0.0000 | Al=0.2500 |
32 | 0.3333 | 0.6667 | 0.2966 | 0.0000 | Nb=0.2900, Zr=0.0800 |
33 | 0.3333 | 0.6667 | 0.0429 | 0.0000 | Ti |
34 | 0.3333 | 0.6667 | 0.0518 | 0.0000 | Si=0.3700 |
35 | 0.3333 | 0.6667 | 0.0900 | 0.0000 | Si=0.4400 |
36 | 0.1128 | 0.2256 | 0.1523 | 0.0000 | Na=0.7900 |
37 | 0.0925 | 0.1850 | 0.1620 | 0.0000 | Na=0.2100 |
38 | 0.5839 | 0.4163 | 0.1638 | 0.0000 | Na=0.4000 |
39 | 0.5585 | 0.4415 | 0.1785 | 0.0000 | Na=0.6000 |
40 | 0.2358 | 0.4716 | -0.0443 | 0.0000 | Na=0.2300, K=0.1300 |
41 | 0.2220 | 0.1106 | 0.2837 | 0.0000 | Na=0.6400 |
42 | 0.4292 | 0.2150 | 0.0569 | 0.0000 | Na=0.3600 |
43 | 0.4653 | 0.2327 | 0.0494 | 0.0000 | Sr=0.2700, Ce=0.0200 |
44 | 0.4850 | 0.2426 | 0.0450 | 0.0000 | Na=0.3500 |
45 | 0.2512 | 0.5020 | 0.1733 | 0.0000 | Na=0.2300 |
46 | 0.1897 | 0.5949 | 0.1460 | 0.0000 | Na=0.4000 |
47 | 0.6667 | 0.3333 | 0.1008 | 0.0000 | (Cl)=0.4800 |
48 | 0.0000 | 0.0000 | 0.2401 | 0.0000 | (Cl)=0.4000 |
49 | 0.6667 | 0.3333 | 0.0360 | 0.0000 | F=0.1300 |
50 | 0.3333 | 0.6667 | 0.1426 | 0.0000 | OH=0.4400 |
51 | 0.3333 | 0.6667 | 0.1960 | 0.0000 | OH=0.3800 |
52 | 0.3333 | 0.6667 | -0.0045 | 0.0000 | OH=0.3700 |
53 | 0.3333 | 0.6667 | 0.3410 | 0.0000 | OH=0.2500 |
54 | 0.2400 | 0.6200 | 0.0009 | 0.0000 | H2O=0.4000 |
55 | 0.2400 | 0.6200 | 0.0009 | 0.0000 | H2O=0.2000 |
56 | 0.6020 | 0.2040 | -0.0039 | 0.0000 | H2O=0.5200 |
57 | 0.6020 | 0.2040 | -0.0039 | 0.0000 | H2O=0.4000 |
58 | 0.6667 | 0.3333 | 0.1230 | 0.0000 | H2O=0.3600 |
59 | 0.0000 | 0.0000 | 0.2520 | 0.0000 | H2O=0.4300 |