N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1757 | 0.3751 | 0.2250 | 0.9800 | Nb |
2 | 0.5686 | 0.3984 | 0.6564 | 1.2100 | Nb=0.8000, Tl=0.2000 |
3 | 0.8987 | 0.8862 | 0.4327 | 0.6400 | Ti |
4 | 0.3659 | 0.1334 | 0.4363 | 1.5500 | Na=0.7000, Mn=0.3000 |
5 | 0.8690 | 0.3823 | 0.4411 | 1.4000 | Na |
6 | 0.3707 | 0.6480 | 0.4337 | 0.8700 | Na |
7 | 0.1696 | 0.8711 | 0.1978 | 1.7600 | Na=0.7400 |
8 | 0.6728 | 0.3736 | 0.0747 | 1.7500 | Na |
9 | 0.5780 | 0.8743 | 0.6762 | 1.5000 | Na |
10 | 0.0518 | 0.8675 | 0.8394 | 1.4700 | Na |
11 | 0.6894 | 0.6657 | 0.2442 | 0.4500 | Si |
12 | 0.6788 | 0.0869 | 0.2518 | 0.4800 | Si |
13 | 0.0686 | 0.6806 | 0.6265 | 0.8200 | Si |
14 | 0.0585 | 0.1105 | 0.6385 | 0.7400 | Si |
15 | 0.5570 | 0.6215 | 0.8759 | 1.4800 | P |
16 | 0.1909 | 0.1345 | 0.0044 | 1.4400 | P |
17 | 0.9280 | 0.5777 | 0.1963 | 0.8000 | O |
18 | 0.6723 | 0.8769 | 0.2033 | 0.7000 | O |
19 | 0.7106 | 0.6785 | 0.3556 | 0.8000 | O |
20 | 0.4151 | 0.1745 | 0.2191 | 1.2000 | O |
21 | 0.0298 | 0.0960 | 0.5237 | 1.1000 | O |
22 | 0.7160 | 0.0840 | 0.3651 | 0.7000 | O |
23 | 0.3106 | 0.2112 | 0.6816 | 1.1000 | O |
24 | 0.2007 | 0.3929 | 0.3482 | 1.3000 | O |
25 | 0.0740 | 0.8962 | 0.6757 | 1.6000 | O |
26 | 0.8966 | 0.1987 | 0.2100 | 1.4000 | O |
27 | 0.0374 | 0.6909 | 0.5171 | 1.4000 | O |
28 | 0.4387 | 0.5577 | 0.2002 | 1.5000 | O |
29 | 0.1050 | 0.9595 | 0.0466 | 2.4000 | O |
30 | 0.1410 | 0.8890 | 0.3623 | 1.1000 | O |
31 | 0.8280 | 0.2000 | 0.6833 | 2.1000 | O |
32 | 0.5491 | 0.3745 | 0.5333 | 1.5000 | O |
33 | 0.1318 | 0.3150 | 0.0676 | 1.2000 | O |
34 | 0.3259 | 0.5988 | 0.6641 | 1.7000 | O |
35 | 0.4720 | 0.1330 | -0.0024 | 3.5000 | O |
36 | 0.0600 | 0.1500 | 0.9070 | 3.4000 | O |
37 | 0.7000 | 0.6070 | 0.9731 | 2.4000 | O |
38 | 0.6080 | 0.4430 | 0.8140 | 2.2000 | O |
39 | 0.8450 | 0.5799 | 0.6702 | 1.9000 | O |
40 | 0.6360 | 0.8146 | 0.8335 | 2.3000 | O |
41 | 0.2880 | 0.6280 | 0.8853 | 2.5000 | O |
42 | 0.5966 | 0.8898 | 0.5148 | 1.2000 | F |
43 | 0.1310 | 0.6301 | 0.0259 | 1.7000 | H2O |
44 | 0.6220 | 0.1509 | 0.8589 | 2.0000 | H2O |
45 | 0.0630 | 0.3959 | 0.8037 | 1.8000 | H2O |
46 | 0.7100 | 0.9063 | 0.0520 | 4.9000 | H2O |