N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2469 | 0.4984 | 0.0002 | 1.9000 | Cu |
2 | 0.2542 | 0.0018 | 0.0024 | 1.9200 | Cu |
3 | 0.2560 | 0.7578 | 0.1242 | 1.9100 | Cu |
4 | 0.2591 | 0.2546 | 0.1258 | 2.0500 | Cu |
5 | 0.2500 | 0.5199 | 0.2515 | 1.6700 | Cu |
6 | 0.2500 | 0.0211 | 0.2482 | 1.8000 | Cu |
7 | 0.2436 | 0.2538 | 0.3741 | 2.0500 | Cu |
8 | 0.2458 | 0.7592 | 0.3736 | 2.0600 | Cu |
9 | 0.0071 | 0.3314 | 0.1502 | 1.1800 | Ca |
10 | 0.5105 | 0.6670 | 0.1506 | 1.3600 | Ca |
11 | 0.1060 | 0.0610 | 0.0533 | 1.2500 | S |
12 | 0.0957 | 0.0302 | 0.2854 | 1.1700 | S |
13 | 0.4031 | 0.4617 | 0.2125 | 1.2700 | S |
14 | 0.3947 | 0.4365 | 0.4463 | 1.2700 | S |
15 | 0.0834 | 0.3430 | 0.4909 | 1.1300 | O |
16 | 0.0595 | 0.8672 | 0.0548 | 2.1100 | O |
17 | 0.0896 | 0.2196 | 0.1000 | 1.4900 | O |
18 | 0.1754 | 0.0145 | 0.0660 | 1.8000 | O |
19 | 0.0818 | 0.1802 | 0.2323 | 1.6900 | O |
20 | 0.0596 | 0.8447 | 0.2672 | 4.7700 | O |
21 | 0.0681 | 0.1160 | 0.3375 | 2.7200 | O |
22 | 0.1672 | 0.9968 | 0.3065 | 2.1400 | O |
23 | 0.4285 | 0.3744 | 0.1624 | 2.2000 | O |
24 | 0.3328 | 0.4906 | 0.1938 | 1.9400 | O |
25 | 0.4126 | 0.2968 | 0.2652 | 4.2500 | O |
26 | 0.4341 | 0.6925 | 0.2267 | 1.5500 | O |
27 | 0.4060 | 0.2721 | 0.3993 | 3.8600 | O |
28 | 0.3232 | 0.4816 | 0.4298 | 1.8600 | O |
29 | 0.4059 | 0.1762 | 0.0085 | 2.1600 | O |
30 | 0.4254 | 0.6517 | 0.4461 | 2.0300 | O |
31 | 0.2923 | 0.7416 | 0.0494 | 1.3700 | O |
32 | 0.2079 | 0.4898 | 0.0873 | 1.1000 | O |
33 | 0.3058 | -0.0023 | 0.1631 | 1.3700 | O |
34 | 0.2132 | 0.7444 | 0.1956 | 0.8700 | O |
35 | 0.2128 | 0.2519 | 0.1959 | 1.6300 | O |
36 | 0.2923 | 0.7667 | 0.3046 | 2.7100 | O |
37 | 0.2889 | 0.2454 | 0.3054 | 1.2700 | O |
38 | 0.1966 | 0.5134 | 0.3353 | 2.7000 | O |
39 | 0.2941 | 0.9898 | 0.4145 | 3.3200 | O |
40 | 0.2030 | 0.7321 | 0.4482 | 1.6800 | O |
41 | 0.2020 | 0.2597 | 0.4500 | 2.0600 | O |
42 | 0.0701 | 0.6567 | 0.1610 | 0.7600 | O |
43 | 0.0577 | 0.5324 | 0.3773 | 2.5300 | O |
44 | 0.0448 | 0.9112 | 0.4530 | 2.3400 | O |
45 | 0.4403 | 0.5932 | 0.0441 | 3.4300 | O |
46 | 0.4501 | 0.9931 | 0.1190 | 2.6600 | O |
47 | 0.4213 | 0.8496 | 0.3373 | 0.7600 | O |
48 | 0.2914 | 0.2505 | 0.0522 | 1.1100 | O |