N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7445 | 0.0619 | 0.7499 | 2.4200 | H |
2 | 0.8902 | 0.0507 | 0.0077 | 0.5700 | Fe=0.4900 |
3 | 0.8901 | 0.0509 | 0.4923 | 0.6000 | Fe=0.9600, Al=0.0400 |
4 | 0.9408 | 0.7401 | 0.2498 | 0.6100 | Fe=0.9200, Mn=0.0800 |
5 | 0.8128 | 0.3702 | 0.7504 | 0.6400 | Ca |
6 | 0.9595 | 0.3689 | 0.2499 | 0.4200 | Si |
7 | 0.6794 | 0.2272 | 0.2503 | 0.4300 | Si |
8 | 0.0100 | 0.0299 | 0.7487 | 0.9000 | O |
9 | 0.9362 | 0.2720 | 0.0170 | 0.6200 | O |
10 | 0.9361 | 0.2719 | 0.4829 | 0.5900 | O |
11 | 0.7774 | 0.1097 | 0.2505 | 0.6300 | O |
12 | 0.6709 | 0.3295 | 0.0183 | 0.6400 | O |
13 | 0.6708 | 0.3300 | 0.4816 | 0.6300 | O |
14 | 0.5848 | 0.1009 | 0.2503 | 0.5800 | O |
15 | 0.6017 | 0.0257 | 0.7503 | 0.8000 | O |
16 | 0.7984 | 0.1093 | 0.7490 | 0.6300 | O |