N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2453 | 0.1541 | 0.3668 | 0.9600 | Cu |
2 | 0.3437 | 0.1768 | 0.2264 | 0.8300 | P |
3 | 0.1226 | 0.1547 | 0.4673 | 0.7300 | Mg |
4 | 0.3631 | 0.1030 | 0.3702 | 1.4000 | O |
5 | 0.2770 | 0.2960 | 0.2161 | 0.9000 | O |
6 | 0.3846 | 0.3880 | 0.1833 | 1.2000 | O |
7 | 0.3405 | -0.0720 | 0.1447 | 1.3000 | O |
8 | 0.2136 | 0.0550 | 0.5211 | 0.7000 | O |
9 | 0.0866 | -0.1380 | 0.5790 | 1.5000 | O |
10 | 0.0359 | 0.2880 | 0.4132 | 2.4000 | O |
11 | 0.5000 | 0.2010 | 0.2500 | 2.8000 | O |
12 | 0.2450 | 0.0000 | 0.5780 | 1.5000 | H |
13 | 0.1050 | 0.0000 | 0.5980 | 1.5000 | H |
14 | 0.0570 | 0.0150 | 0.6390 | 1.5000 | H |
15 | 0.0230 | 0.4340 | 0.3550 | 1.5000 | H |
16 | 0.0000 | 0.2370 | 0.4150 | 1.5000 | H |
17 | 0.4600 | 0.2680 | 0.2270 | 1.5000 | H |