N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.6496 | 0.1767 | 0.3464 | 0.0100 | Ca |
2 | 0.0000 | 0.0000 | 0.5000 | 0.0100 | Cu |
3 | 0.5000 | 0.0000 | 0.0000 | 0.0100 | Cu |
4 | 0.9802 | 0.1112 | 0.9710 | 0.0100 | Si |
5 | 0.8995 | 0.2058 | 0.0268 | 0.0100 | O |
6 | 0.8461 | 0.0853 | 0.6740 | 0.0100 | O |
7 | 0.3129 | 0.1023 | 0.0383 | 0.0100 | O |
8 | 0.8419 | 0.0541 | 0.1691 | 0.0100 | O |
9 | 0.3525 | 0.2094 | 0.6257 | 0.0100 | O |
10 | 0.3190 | 0.3160 | 0.2220 | 0.0100 | H |
11 | 0.1840 | 0.2580 | 0.0810 | 0.0100 | H |