N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1543 | 0.1726 | 0.0043 | 0.6700 | Pb=0.2900 |
2 | 0.1878 | 0.1924 | 0.0109 | 2.2200 | Ba=0.7100 |
3 | 0.8460 | 0.1719 | 0.0046 | 0.8800 | Pb=0.2910 |
4 | 0.8097 | 0.1927 | 0.0105 | 2.0100 | Ba=0.7090 |
5 | 0.9996 | 0.0031 | 0.2289 | 0.6800 | Ca |
6 | 0.3172 | 0.4995 | 0.0001 | 0.9300 | Si=0.8100, Be=0.1900 |
7 | 0.1936 | 0.5267 | 0.2482 | 0.8900 | Si |
8 | 0.8061 | 0.5274 | 0.2480 | 0.8900 | Si |
9 | 0.9994 | 0.3222 | 0.2626 | 0.8900 | Si |
10 | 0.0002 | 0.7224 | 0.2825 | 0.8100 | Si |
11 | 0.4999 | 0.3367 | 0.0305 | 1.1000 | B |
12 | 0.8845 | 0.6385 | 0.3068 | 1.7400 | O |
13 | 0.8833 | 0.4043 | 0.2314 | 2.3600 | O |
14 | 0.1159 | 0.4031 | 0.2325 | 2.3400 | O |
15 | 0.1158 | 0.6385 | 0.3062 | 1.6300 | O |
16 | 0.2328 | 0.5685 | 0.1035 | 1.3000 | O |
17 | 0.7666 | 0.5700 | 0.1031 | 1.4400 | O |
18 | 0.6078 | 0.4054 | 0.0791 | 1.3600 | O |
19 | 0.3935 | 0.4044 | 0.0796 | 1.2800 | O |
20 | 0.5020 | 0.2126 | 0.0868 | 2.2500 | O |
21 | 0.4994 | 0.6660 | 0.1133 | 1.1200 | O |
22 | 0.0007 | 0.7836 | 0.1428 | 1.3800 | O |
23 | 0.9988 | 0.2082 | 0.1656 | 1.0500 | O |
24 | 0.3020 | 0.5075 | 0.3424 | 1.2400 | O |
25 | 0.6973 | 0.5083 | 0.3422 | 1.3500 | O |
26 | 0.0000 | 0.0000 | 0.0000 | 1.8000 | F |