N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2644 | 0.9860 | 0.0864 | 1.0800 | Ca=0.5000 |
2 | 0.2687 | 0.0323 | 0.5435 | 0.1600 | Ca=0.5000 |
3 | 0.7738 | 0.5360 | 0.5416 | 0.6000 | Ca=0.5000 |
4 | 0.7632 | 0.5038 | 0.0754 | 1.1700 | Ca=0.5000 |
5 | 0.0077 | 0.1574 | 0.1042 | 0.4900 | Si |
6 | 0.0026 | 0.1635 | 0.6123 | 0.4600 | Al |
7 | -0.0007 | 0.8145 | 0.1198 | 0.5400 | Al |
8 | 0.0052 | 0.8178 | 0.6117 | 0.4900 | Si |
9 | 0.6884 | 0.1125 | 0.1596 | 0.6900 | Al |
10 | 0.6763 | 0.1050 | 0.6568 | 0.6400 | Si |
11 | 0.6752 | 0.8810 | 0.1806 | 0.6400 | Si |
12 | 0.6838 | 0.8746 | 0.6771 | 0.4900 | Al |
13 | 0.0072 | 0.1239 | -0.0086 | 1.3100 | O |
14 | 0.9987 | 0.1251 | 0.4905 | 1.4400 | O |
15 | 0.5739 | 0.9891 | 0.1392 | 0.7800 | O |
16 | 0.5723 | 0.9906 | 0.6380 | 0.6900 | O |
17 | 0.8250 | 0.0984 | 0.0928 | 1.2700 | O |
18 | 0.7986 | 0.1000 | 0.5927 | 1.4100 | O |
19 | 0.8066 | 0.8551 | 0.1266 | 1.9000 | O |
20 | 0.8274 | 0.8548 | 0.6182 | 1.9000 | O |
21 | 0.0116 | 0.2778 | 0.1344 | 0.8400 | O |
22 | 0.0129 | 0.2938 | 0.6481 | 0.9600 | O |
23 | 0.0088 | 0.6794 | 0.1075 | 0.7100 | O |
24 | 0.0075 | 0.6921 | 0.5995 | 0.8700 | O |
25 | 0.1904 | 0.1066 | 0.1854 | 1.1700 | O |
26 | 0.2029 | 0.1035 | 0.6929 | 1.5300 | O |
27 | 0.1979 | 0.8692 | 0.2213 | 1.8000 | O |
28 | 0.1871 | 0.8634 | 0.7086 | 2.4000 | O |