N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4819 | 0.2500 | 0.2179 | 0.5100 | Cu |
2 | 0.4884 | 0.2500 | 0.7139 | 0.4500 | Cu |
3 | 0.8461 | 0.1061 | 0.0269 | 0.5400 | Ca |
4 | 0.2337 | 0.0803 | 0.4518 | 0.4000 | Si |
5 | 0.9432 | 0.2500 | 0.5477 | 0.3700 | Si |
6 | 0.8107 | 0.2500 | 0.7624 | 0.6900 | O |
7 | 0.0847 | 0.1485 | 0.5901 | 0.9400 | O |
8 | 0.4348 | 0.1475 | 0.4573 | 0.6400 | O |
9 | 0.8344 | 0.2500 | 0.2847 | 0.8200 | O |
10 | 0.1539 | 0.0498 | 0.1867 | 0.8600 | O |
11 | 0.7201 | 0.0189 | 0.3676 | 0.9000 | O |
12 | 0.5073 | 0.1475 | 0.9714 | 0.7300 | O |
13 | 0.4000 | 0.0800 | 0.9800 | 0.0000 | H |
14 | 0.6200 | 0.1400 | 0.8000 | 0.0000 | H |