N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.3098 | 0.1142 | 1.7100 | Si |
2 | 0.1826 | 0.1826 | 0.1826 | 1.7200 | Si |
3 | 0.2500 | 0.0000 | 0.5000 | 1.4300 | Si |
4 | 0.0963 | 0.2465 | 0.1360 | 4.8800 | O |
5 | 0.0000 | 0.4056 | 0.1813 | 4.7800 | O |
6 | 0.3423 | 0.0000 | 0.0000 | 2.7600 | O |
7 | 0.2500 | 0.2500 | 0.2500 | 5.8100 | O |
8 | 0.2500 | 0.5000 | 0.0000 | 0.0000 | (C)=0.9000 |
9 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | N=0.5900, C=0.1700 |