N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2066 | 0.1445 | 0.2192 | 0.0000 | Ca |
2 | 0.8076 | 0.8643 | 0.7953 | 0.0000 | Ca |
3 | 0.4998 | 0.2509 | 0.0017 | 0.0000 | Ca |
4 | 0.4787 | 0.0000 | -0.0045 | 0.0000 | Ca |
5 | 0.7066 | 0.1040 | 0.2740 | 0.0000 | Si |
6 | 0.2944 | 0.1042 | 0.7275 | 0.0000 | Si |
7 | -0.0001 | 0.3234 | 0.0038 | 0.0000 | Si |
8 | 0.0032 | 0.0000 | -0.0065 | 0.0000 | C |
9 | 0.9013 | 0.3953 | 0.0939 | 0.0000 | O |
10 | 0.5857 | 0.1087 | 0.4012 | 0.0000 | O |
11 | 0.1865 | 0.2725 | 0.0951 | 0.0000 | O |
12 | 0.8196 | 0.7348 | 0.9178 | 0.0000 | O |
13 | 0.5344 | 0.8768 | 0.1430 | 0.0000 | O |
14 | 0.4714 | 0.8729 | 0.8538 | 0.0000 | O |
15 | 0.5917 | 0.6614 | 0.2004 | 0.0000 | O |
16 | 0.9100 | 0.8383 | 0.3031 | 0.0000 | O |
17 | 0.2300 | 0.0000 | 0.7481 | 0.0000 | O |
18 | 0.7794 | 0.0000 | 0.2660 | 0.0000 | O |
19 | 0.2015 | 0.0000 | 0.3356 | 0.0000 | O |
20 | 0.7931 | 0.0000 | 0.6479 | 0.0000 | O |
21 | 0.0937 | 0.0725 | 0.0162 | 0.0000 | O |
22 | 0.3187 | 0.5000 | 0.4332 | 0.0000 | O |
23 | 0.0610 | 0.0000 | 0.3330 | 0.0000 | H |
24 | 0.1700 | 0.0000 | 0.4240 | 0.0000 | H |
25 | 0.7190 | 0.0000 | 0.5630 | 0.0000 | H |
26 | 0.9230 | 0.0000 | 0.6330 | 0.0000 | H |