N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4916 | 0.5004 | 0.0001 | 0.0100 | Al |
2 | 0.4896 | 0.8368 | 0.0000 | 0.0100 | Al |
3 | 0.5017 | -0.0051 | 0.2502 | 0.0200 | Al=0.9100, Li=0.0900 |
4 | 0.5023 | 0.3243 | 0.2502 | 0.0100 | Al=0.9100, Li=0.0900 |
5 | 0.5005 | 0.6681 | 0.2509 | 0.0100 | Li=0.8200, Al=0.1800 |
6 | 0.3885 | -0.0114 | 0.0959 | 0.0100 | Al=0.7500, Si=0.2500 |
7 | 0.4001 | 0.6570 | 0.0956 | 0.0100 | Al=0.7500, Si=0.2500 |
8 | 0.5868 | 0.3282 | 0.4048 | 0.0300 | Al=0.7500, Si=0.2500 |
9 | 0.5954 | 0.6580 | 0.4041 | 0.0100 | Al=0.7500, Si=0.2500 |
10 | 0.1127 | 0.6158 | 0.1130 | 0.0400 | O |
11 | 0.4818 | 0.8234 | 0.1184 | 0.0200 | O |
12 | 0.6277 | 0.5417 | 0.1203 | 0.0200 | O |
13 | 0.3203 | -0.0261 | 0.0381 | 0.0200 | O |
14 | 0.4050 | 0.6684 | 0.0378 | 0.0200 | O |
15 | 0.3649 | 0.2095 | 0.3799 | 0.0200 | O |
16 | 0.5112 | 0.4910 | 0.3791 | 0.0300 | O |
17 | 0.8632 | 0.2822 | 0.3839 | 0.0300 | O |
18 | 0.5840 | 0.3319 | 0.4631 | 0.0000 | O |
19 | 0.6555 | 0.6424 | 0.4631 | 0.0100 | O |
20 | 0.3243 | 0.3586 | 0.0373 | 0.0100 | OH |
21 | 0.6567 | 0.0197 | 0.4628 | 0.0100 | OH |
22 | 0.1528 | -0.0150 | 0.2157 | 0.0200 | OH |
23 | 0.1604 | 0.3429 | 0.2142 | 0.0100 | OH |
24 | 0.1230 | 0.6595 | 0.2138 | 0.0100 | OH |
25 | 0.3820 | 0.1594 | 0.2868 | 0.0200 | OH |
26 | 0.3497 | 0.4827 | 0.2849 | 0.0400 | OH |
27 | 0.3409 | 0.8452 | 0.2872 | 0.0300 | OH |
28 | 0.3870 | 0.3170 | 0.0680 | 0.0000 | H |
29 | 0.5350 | -0.0020 | 0.4360 | 0.0000 | H |
30 | 0.1310 | -0.0110 | 0.1820 | 0.0000 | H |
31 | 0.1400 | 0.3380 | 0.1790 | 0.0000 | H |
32 | 0.1060 | 0.6580 | 0.1810 | 0.0000 | H |
33 | 0.3780 | 0.1840 | 0.3200 | 0.0000 | H |
34 | 0.3760 | 0.4890 | 0.3190 | 0.0000 | H |
35 | 0.3660 | 0.8390 | 0.3220 | 0.0000 | H |