N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2630 | 0.9870 | 0.0862 | 0.6000 | Ca=0.5000 |
2 | 0.2640 | 0.0280 | 0.5422 | 0.2000 | Ca=0.5000 |
3 | 0.7740 | 0.5390 | 0.5407 | 0.8000 | Ca=0.5000 |
4 | 0.7590 | 0.5060 | 0.0742 | 0.4000 | Ca=0.5000 |
5 | 0.0096 | 0.1569 | 0.1032 | 0.4000 | Si |
6 | -0.0011 | 0.1641 | 0.6132 | 0.4000 | Al |
7 | -0.0020 | 0.8120 | 0.1189 | 0.6000 | Al |
8 | 0.0043 | 0.8180 | 0.6120 | 0.5000 | Si |
9 | 0.6910 | 0.1140 | 0.1634 | 0.6000 | Al |
10 | 0.6688 | 0.1010 | 0.6527 | 0.8000 | Si |
11 | 0.6710 | 0.8807 | 0.1819 | 0.6000 | Si |
12 | 0.6798 | 0.8722 | 0.6743 | 0.5000 | Al |
13 | 0.0130 | 0.1180 | -0.0070 | 1.4000 | O |
14 | 0.9930 | 0.1280 | 0.4880 | 1.2000 | O |
15 | 0.5680 | 0.9890 | 0.1370 | 0.8000 | O |
16 | 0.5710 | 0.9880 | 0.6410 | 0.2000 | O |
17 | 0.8240 | 0.0920 | 0.0920 | 1.6000 | O |
18 | 0.8020 | 0.1030 | 0.5950 | 1.8000 | O |
19 | 0.8120 | 0.8550 | 0.1280 | 1.9000 | O |
20 | 0.8160 | 0.8530 | 0.6150 | 2.4000 | O |
21 | 0.0080 | 0.2730 | 0.1350 | 1.1000 | O |
22 | 0.0060 | 0.2940 | 0.6480 | 0.6000 | O |
23 | 0.0090 | 0.6810 | 0.1080 | 0.8000 | O |
24 | 0.0030 | 0.6900 | 0.5990 | 1.1000 | O |
25 | 0.1870 | 0.1000 | 0.1830 | 1.6000 | O |
26 | 0.2060 | 0.1080 | 0.6920 | 1.9000 | O |
27 | 0.1870 | 0.8650 | 0.2230 | 2.8000 | O |
28 | 0.1980 | 0.8680 | 0.7080 | 2.9000 | O |