N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Zn |
2 | -0.0106 | 0.0995 | 0.2490 | 0.0000 | Cu |
3 | 0.4990 | -0.1508 | 0.2470 | 0.0000 | Cu |
4 | 0.3600 | 0.0571 | 0.3738 | 0.0000 | S |
5 | 0.3328 | 0.0946 | 0.3128 | 0.0000 | O |
6 | 0.6073 | 0.1049 | 0.2096 | 0.0000 | O |
7 | 0.8396 | 0.3556 | 0.2896 | 0.0000 | O |
8 | 0.1635 | 0.3440 | 0.2149 | 0.0000 | O |
9 | 0.1264 | -0.0071 | 0.3927 | 0.0000 | O |
10 | 0.4409 | 0.2594 | 0.4018 | 0.0000 | O |
11 | 0.5385 | -0.1161 | 0.3859 | 0.0000 | O |
12 | 0.9163 | 0.0626 | 0.0827 | 0.0000 | O |
13 | 0.3281 | 0.1617 | 0.0189 | 0.0000 | O |
14 | 0.1436 | -0.2890 | 0.0290 | 0.0000 | O |
15 | 0.5930 | 0.0830 | 0.1750 | 0.0000 | H |
16 | 0.8560 | 0.3500 | 0.3280 | 0.0000 | H |
17 | 0.1540 | 0.3440 | 0.1840 | 0.0000 | H |
18 | 0.9890 | 0.0310 | 0.1030 | 0.0000 | H |
19 | 0.7820 | 0.0170 | 0.0770 | 0.0000 | H |
20 | 0.3630 | 0.0780 | 0.0160 | 0.0000 | H |
21 | 0.3620 | 0.2500 | 0.0460 | 0.0000 | H |
22 | 0.2020 | -0.2390 | 0.0560 | 0.0000 | H |
23 | 0.0420 | -0.3330 | 0.0560 | 0.0000 | H |