N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Fe=0.6700 |
2 | 0.0000 | 0.0770 | 0.5070 | 0.0000 | Fe=0.6700 |
3 | 0.5080 | 0.3180 | 0.1750 | 0.0000 | Fe=0.6700 |
4 | 0.5060 | 0.3890 | 0.7020 | 0.0000 | Fe=0.6700 |
5 | 0.5010 | 0.4630 | 0.2340 | 0.0000 | Fe=0.6700 |
6 | 0.1810 | 0.0680 | 0.8340 | 0.0000 | Si |
7 | 0.1760 | 0.1220 | 0.3340 | 0.0000 | Si |
8 | 0.3190 | 0.3060 | 0.8160 | 0.0000 | Si |
9 | 0.3150 | 0.4480 | 0.8760 | 0.0000 | Si |
10 | 0.3190 | 0.2350 | 0.2740 | 0.0000 | Si |
11 | 0.3110 | 0.5250 | 0.4150 | 0.0000 | Si |
12 | 0.3000 | 0.6700 | 0.4720 | 0.0000 | Si |
13 | 0.2930 | 0.7420 | -0.0030 | 0.0000 | Si |
14 | 0.1910 | 0.9320 | 0.7960 | 0.0000 | Si |
15 | 0.1920 | 0.8660 | 0.2680 | 0.0000 | Si |
16 | 0.5190 | 0.1080 | 0.0690 | 0.0000 | K |
17 | 0.0100 | 0.2740 | -0.0040 | 0.0000 | K |
18 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | K |
19 | 0.0740 | 0.0780 | 0.8430 | 0.0000 | O |
20 | 0.0800 | 0.0040 | 0.3400 | 0.0000 | O |
21 | 0.0750 | 0.1470 | 0.2830 | 0.0000 | O |
22 | 0.4280 | 0.3120 | 0.8330 | 0.0000 | O |
23 | 0.4240 | 0.4560 | 0.8890 | 0.0000 | O |
24 | 0.4270 | 0.2340 | 0.2530 | 0.0000 | O |
25 | 0.4230 | 0.3830 | 0.3610 | 0.0000 | O |
26 | 0.4200 | 0.5310 | 0.4240 | 0.0000 | O |
27 | 0.4130 | 0.6020 | -0.0480 | 0.0000 | O |
28 | 0.4110 | 0.6770 | 0.4830 | 0.0000 | O |
29 | 0.4030 | 0.7480 | 0.9820 | 0.0000 | O |
30 | 0.0820 | 0.9320 | 0.8160 | 0.0000 | O |
31 | 0.0810 | 0.8580 | 0.2740 | 0.0000 | O |
32 | 0.2080 | 0.0010 | 0.6730 | 0.0000 | O |
33 | 0.2070 | 0.1210 | 0.6350 | 0.0000 | O |
34 | 0.1950 | 0.0590 | 0.1360 | 0.0000 | O |
35 | 0.2600 | 0.1650 | 0.2250 | 0.0000 | O |
36 | 0.2740 | 0.2730 | 0.0500 | 0.0000 | O |
37 | 0.2850 | 0.2660 | 0.5460 | 0.0000 | O |
38 | 0.2700 | 0.3730 | 0.8390 | 0.0000 | O |
39 | 0.2790 | 0.4740 | 0.6150 | 0.0000 | O |
40 | 0.2870 | 0.4830 | 0.1440 | 0.0000 | O |
41 | 0.2650 | 0.5930 | 0.4800 | 0.0000 | O |
42 | 0.2590 | 0.7160 | 0.7040 | 0.0000 | O |
43 | 0.2670 | 0.6860 | 0.1890 | 0.0000 | O |
44 | 0.2450 | 0.8050 | 0.1320 | 0.0000 | O |
45 | 0.2160 | 0.9260 | 0.0950 | 0.0000 | O |
46 | 0.2190 | 0.8770 | 0.5740 | 0.0000 | O |
47 | 0.3510 | 0.0130 | 0.9990 | 0.0000 | H2O |
48 | 0.6130 | 0.1070 | 0.5790 | 0.0000 | H2O |
49 | 0.1300 | 0.4140 | 0.1790 | 0.0000 | H2O |
50 | 0.8910 | 0.3810 | 0.7550 | 0.0000 | H2O |
51 | 0.0600 | 0.2930 | 0.5000 | 0.0000 | H2O |
52 | 0.1470 | 0.5230 | 0.9020 | 0.0000 | H2O |