N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0821 | 0.2500 | 0.3821 | 0.0000 | Ca |
2 | 0.4035 | 0.2500 | 0.5259 | 0.0000 | V |
3 | 0.0952 | 0.0332 | 0.1828 | 0.0000 | Si |
4 | 0.3162 | 0.0431 | 0.3926 | 0.0000 | Si |
5 | 0.0863 | 0.1503 | 0.1774 | 0.0000 | O |
6 | 0.2937 | 0.1577 | 0.4123 | 0.0000 | O |
7 | 0.4486 | 0.0201 | 0.2968 | 0.0000 | O |
8 | 0.1661 | -0.0109 | 0.0421 | 0.0000 | O |
9 | 0.1855 | -0.0045 | 0.3141 | 0.0000 | O |
10 | 0.5522 | 0.2500 | 0.4573 | 0.0000 | O |
11 | 0.9460 | 0.1183 | 0.4708 | 0.0000 | O |
12 | 0.3743 | 0.2500 | 0.1387 | 0.0000 | O |
13 | 0.8100 | 0.2500 | 0.2836 | 0.0000 | O |