N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9803 | 0.1314 | 0.8231 | 0.8900 | Ca=0.6260, Sr=0.2170, Pb=0.1290 |
2 | 0.2503 | 0.2460 | 0.5005 | 0.6600 | Cu=0.9800, Mn=0.0200 |
3 | 0.4874 | 0.8840 | 0.6673 | 0.5700 | V=0.6700, As=0.3300 |
4 | 0.5037 | 0.0640 | 0.5502 | 1.0700 | O |
5 | 0.4323 | 0.7105 | 0.5586 | 1.4300 | O |
6 | 0.7383 | 0.8623 | 0.7583 | 1.1700 | O |
7 | 0.2584 | 0.8967 | 0.7778 | 1.2400 | O |
8 | 0.9967 | 0.1087 | 0.5682 | 0.8500 | O |
9 | 0.0120 | 0.0060 | 0.4990 | 0.0000 | H |