N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7048 | 0.3902 | 0.1673 | 0.0000 | Ca |
2 | 0.2762 | 0.1014 | 0.1446 | 0.0000 | Ca |
3 | 0.9824 | 0.2425 | 0.1448 | 0.0000 | Ca |
4 | 0.8404 | 0.8059 | 0.1447 | 0.0000 | Ca |
5 | 0.4259 | 0.5357 | 0.1684 | 0.0000 | Ca |
6 | 0.5613 | 0.9689 | 0.1682 | 0.0000 | Ca |
7 | 0.1281 | 0.6701 | 0.1674 | 0.0000 | Ca |
8 | 0.2193 | 0.3284 | 0.0331 | 0.0000 | Si |
9 | 0.3086 | 0.0952 | 0.9671 | 0.0000 | Si |
10 | 0.1130 | 0.8012 | 0.0328 | 0.0000 | Si |
11 | 0.3447 | 0.6838 | 0.0485 | 0.0000 | Si |
12 | 0.4267 | 0.3319 | 0.2829 | 0.0000 | Si |
13 | 0.8238 | 0.2215 | 0.2831 | 0.0000 | Si |
14 | 0.9367 | 0.7301 | 0.2818 | 0.0000 | Si |
15 | 0.1873 | 0.4602 | 0.2820 | 0.0000 | Si |
16 | 0.6996 | 0.8544 | 0.2808 | 0.0000 | Si |
17 | 0.3056 | 0.9699 | 0.2800 | 0.0000 | Si |
18 | 0.7461 | 0.4528 | 0.3557 | 0.0000 | Si |
19 | 0.4169 | 0.7889 | 0.3516 | 0.0000 | Si |
20 | 0.2416 | 0.3011 | 0.1008 | 0.0000 | O |
21 | 0.2372 | 0.0092 | 0.9001 | 0.0000 | O |
22 | 0.0663 | 0.8143 | 0.1002 | 0.0000 | O |
23 | 0.5166 | 0.1380 | 0.1165 | 0.0000 | O |
24 | 0.9283 | 0.4364 | 0.1164 | 0.0000 | O |
25 | 0.6329 | 0.5478 | 0.1160 | 0.0000 | O |
26 | 0.1851 | 0.4871 | 0.2127 | 0.0000 | O |
27 | 0.6391 | 0.7963 | 0.2100 | 0.0000 | O |
28 | 0.3234 | 0.9359 | 0.2096 | 0.0000 | O |
29 | 0.4659 | 0.3420 | 0.2138 | 0.0000 | O |
30 | 0.7770 | 0.2193 | 0.2130 | 0.0000 | O |
31 | 0.8981 | 0.6557 | 0.2126 | 0.0000 | O |
32 | 0.0400 | 0.0638 | 0.1878 | 0.0000 | O |
33 | 0.3617 | 0.7079 | 0.1205 | 0.0000 | O |
34 | 0.2541 | 0.2287 | 0.9793 | 0.0000 | O |
35 | 0.2418 | 0.9794 | 0.0202 | 0.0000 | O |
36 | 0.0295 | 0.2660 | 0.0202 | 0.0000 | O |
37 | 0.3280 | 0.5155 | 0.0216 | 0.0000 | O |
38 | 0.4959 | 0.8188 | 0.0230 | 0.0000 | O |
39 | 0.1921 | 0.6884 | 0.0214 | 0.0000 | O |
40 | 0.3011 | 0.3917 | 0.2985 | 0.0000 | O |
41 | 0.7700 | 0.0424 | 0.2996 | 0.0000 | O |
42 | 0.1205 | 0.8575 | 0.2955 | 0.0000 | O |
43 | 0.3400 | 0.1518 | 0.2994 | 0.0000 | O |
44 | 0.0175 | 0.3269 | 0.2999 | 0.0000 | O |
45 | 0.8543 | 0.8299 | 0.2985 | 0.0000 | O |
46 | 0.4366 | 0.8193 | 0.4241 | 0.0000 | O |
47 | 0.7686 | 0.4817 | 0.4268 | 0.0000 | O |
48 | 0.2440 | 0.6236 | 0.3252 | 0.0000 | O |
49 | 0.5620 | 0.7669 | 0.3239 | 0.0000 | O |
50 | 0.4212 | 0.9385 | 0.3214 | 0.0000 | O |
51 | 0.5802 | 0.4380 | 0.3304 | 0.0000 | O |
52 | 0.7402 | 0.2870 | 0.3271 | 0.0000 | O |
53 | 0.8904 | 0.5970 | 0.3246 | 0.0000 | O |
54 | 0.3302 | 0.6718 | 0.4983 | 4.1000 | Ca |
55 | 0.2919 | 0.8740 | 0.5464 | 8.7000 | H2O |
56 | 0.0784 | 0.5475 | 0.4391 | 8.0000 | H2O |
57 | 0.3931 | 0.4892 | 0.4478 | 12.0000 | H2O |
58 | 0.5877 | 0.8303 | 0.5582 | 12.6000 | H2O |
59 | 0.0000 | 0.0000 | 0.5000 | 13.7000 | Na |
60 | 0.7684 | 0.7748 | 0.4422 | 15.0000 | H2O |
61 | 0.9470 | 0.8255 | 0.5864 | 16.3000 | H2O |
62 | 0.8687 | 0.1174 | 0.5489 | 15.6000 | H2O |