N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | -0.0237 | 0.8074 | 0.0630 | 0.0000 | Bi |
2 | 0.6928 | 0.6693 | 0.0676 | 0.0000 | Bi |
3 | 0.8309 | 0.5245 | 0.0646 | 0.0000 | Bi |
4 | 0.6752 | 0.4764 | 0.2600 | 0.0000 | Bi |
5 | 0.0251 | 0.7021 | 0.2652 | 0.0000 | Bi |
6 | 0.2921 | 0.8245 | 0.2649 | 0.0000 | Bi |
7 | 0.1701 | 0.9740 | 0.2603 | 0.0000 | Bi |
8 | 0.1261 | 0.6464 | 0.0651 | 0.0000 | Bi |
9 | 0.1660 | 0.8360 | -0.0890 | 0.0000 | Cr |
10 | 0.6667 | 0.3333 | -0.0920 | 0.0000 | Cr |
11 | 0.0000 | 0.0000 | -0.0880 | 0.0000 | Cr |
12 | -0.0020 | 0.4940 | -0.0999 | 0.0000 | Cr |
13 | 0.1710 | 0.8320 | 0.3280 | 0.0000 | O |
14 | 0.2900 | 0.9470 | 0.2040 | 0.0000 | O |
15 | 0.8300 | 0.6600 | -0.0040 | 0.0000 | O |
16 | 0.5530 | 0.3400 | 0.2010 | 0.0000 | O |
17 | 0.0410 | 0.8410 | 0.1970 | 0.0000 | O |
18 | 0.8410 | 0.7900 | 0.1220 | 0.0000 | O |
19 | 0.7090 | 0.5480 | 0.1320 | 0.0000 | O |
20 | 0.9680 | 0.6550 | 0.1120 | 0.0000 | O |
21 | 0.1600 | 0.8320 | 0.0190 | 0.0000 | O |
22 | 0.6667 | 0.3333 | 0.0150 | 0.0000 | O |
23 | 0.0000 | 0.0000 | -0.1940 | 0.0000 | O |
24 | -0.0040 | 0.4970 | -0.2070 | 0.0000 | O |
25 | -0.0200 | 0.0930 | -0.0620 | 0.0000 | O |
26 | -0.0270 | 0.5790 | -0.0620 | 0.0000 | O |
27 | -0.0860 | 0.3800 | -0.0630 | 0.0000 | O |
28 | 0.6710 | 0.2340 | -0.1310 | 0.0000 | O |
29 | 0.1910 | 0.7510 | -0.1260 | 0.0000 | O |
30 | 0.2630 | 0.9420 | -0.1220 | 0.0000 | O |
31 | 0.0550 | 0.8130 | -0.1260 | 0.0000 | O |
32 | 0.1090 | 0.5160 | -0.0650 | 0.0000 | O |
33 | 0.6667 | 0.3333 | 0.3300 | 0.0000 | O |
34 | 0.1480 | 0.7070 | 0.1930 | 0.0000 | O |
35 | 0.0170 | 0.5000 | 0.1050 | 0.0000 | OH |
36 | 0.3390 | 0.7440 | 0.1050 | 0.0000 | H2O |