N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2006 | 0.4175 | 0.3775 | 0.4200 | Ca=0.9720, Fe=0.0280 |
2 | 0.1988 | 0.9329 | 0.3757 | 0.5400 | Ca=0.9830, Fe=0.0170 |
3 | 0.5000 | 0.2500 | 0.2500 | 0.5100 | Ca=0.0350, Fe=0.9650 |
4 | 0.5000 | 0.7500 | 0.2500 | 0.5400 | Ca=0.9860, Fe=0.0140 |
5 | 0.1888 | 0.3960 | 0.6365 | 0.3600 | Si |
6 | 0.1925 | 0.9570 | 0.6315 | 0.6300 | Si |
7 | 0.3971 | 0.7263 | 0.5231 | 0.3500 | Si |
8 | 0.4292 | 0.2346 | 0.4026 | 0.7200 | O |
9 | 0.4008 | 0.7237 | 0.4085 | 0.5800 | O |
10 | 0.3177 | 0.4808 | 0.7315 | 0.6900 | O |
11 | 0.3103 | 0.9280 | 0.7292 | 0.9000 | O |
12 | 0.0150 | 0.6213 | 0.3556 | 0.8700 | O |
13 | 0.0129 | 0.1339 | 0.3738 | 1.0400 | O |
14 | 0.2637 | 0.5183 | 0.5434 | 0.7700 | O |
15 | 0.2787 | 0.8838 | 0.5400 | 0.8200 | O |
16 | 0.2238 | 0.1860 | 0.6188 | 1.1100 | O |