N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4130 | 0.3160 | 0.5023 | 0.0000 | Cu |
2 | 0.6667 | 0.3333 | 0.2500 | 0.0000 | Y=0.5200, Er=0.0500, Ca=0.4300 |
3 | 0.4950 | 0.1510 | 0.7500 | 0.0000 | As=0.8280, P=0.1720 |
4 | 0.5739 | 0.1820 | 0.5182 | 0.0000 | O |
5 | 0.3919 | 0.4007 | 0.2500 | 0.0000 | O |
6 | 0.4124 | 0.2123 | 0.7500 | 0.0000 | O |
7 | 0.3688 | 0.3768 | 0.7500 | 0.0000 | OH |
8 | 0.4421 | 0.2456 | 0.2500 | 0.0000 | OH |
9 | 0.1338 | 0.1703 | 0.2500 | 0.0000 | H2O=0.7680 |
10 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | H2O=0.6970 |