N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 2.1000 | Mg |
2 | 0.5000 | 0.0000 | 0.0000 | 2.2000 | Mg |
3 | 0.2386 | 0.2849 | 0.0223 | 2.2000 | Mg |
4 | 0.1650 | 0.0212 | 0.4872 | 1.5000 | U |
5 | 0.1769 | 0.0138 | 0.7597 | 2.6000 | O |
6 | 0.1525 | 0.0287 | 0.2155 | 2.6000 | O |
7 | 0.2715 | 0.0276 | 0.4332 | 2.9000 | C |
8 | 0.2444 | 0.0972 | 0.4631 | 2.9000 | O |
9 | 0.2474 | -0.0452 | 0.4395 | 2.9000 | O |
10 | 0.3181 | 0.0323 | 0.4078 | 2.9000 | O |
11 | 0.1151 | -0.1475 | 0.4907 | 2.4000 | C |
12 | 0.1630 | -0.1370 | 0.4593 | 2.6000 | O |
13 | 0.0914 | -0.0740 | 0.5216 | 2.4000 | O |
14 | 0.0954 | -0.2202 | 0.4953 | 4.8000 | O |
15 | 0.1084 | 0.1811 | 0.5418 | 2.1000 | C |
16 | 0.0869 | 0.1038 | 0.5326 | 2.2000 | O |
17 | 0.1568 | 0.1801 | 0.5208 | 2.3000 | O |
18 | 0.0838 | 0.2497 | 0.5704 | 2.8000 | O |
19 | -0.0022 | 0.0698 | -0.2729 | 3.1000 | H2O |
20 | 0.0273 | 0.1076 | 0.1574 | 3.4000 | H2O |
21 | 0.0723 | -0.0424 | -0.0554 | 3.0000 | H2O |
22 | 0.4755 | 0.1199 | -0.1115 | 3.5000 | H2O |
23 | 0.5673 | 0.0611 | 0.1043 | 2.8000 | H2O |
24 | 0.4695 | 0.0286 | 0.2739 | 3.3000 | H2O |
25 | 0.2357 | 0.4183 | 0.0827 | 3.2000 | H2O=0.5000 |
26 | 0.2146 | 0.3987 | 0.1544 | 3.8000 | H2O=0.5000 |
27 | 0.3114 | 0.3068 | -0.0828 | 3.6000 | H2O=0.5000 |
28 | 0.3068 | 0.3456 | -0.0432 | 2.6000 | H2O=0.5000 |
29 | 0.2442 | 0.1530 | -0.0635 | 3.4000 | H2O=0.5000 |
30 | 0.2636 | 0.1695 | -0.1141 | 3.8000 | H2O=0.5000 |
31 | 0.1699 | 0.2585 | 0.1360 | 2.8000 | H2O=0.5000 |
32 | 0.1739 | 0.2132 | 0.0759 | 3.6000 | H2O=0.5000 |
33 | 0.2050 | 0.3174 | -0.2581 | 3.2000 | H2O |
34 | 0.2702 | 0.2541 | 0.3070 | 3.4000 | H2O |
35 | 0.1515 | 0.5219 | -0.0080 | 3.7000 | H2O |
36 | 0.5983 | 0.0726 | 0.5168 | 2.9000 | H2O |
37 | 0.4888 | 0.1834 | 0.4905 | 3.4000 | H2O |
38 | 0.0717 | 0.2539 | -0.0067 | 3.8000 | H2O |
39 | 0.1485 | 0.6487 | 0.2996 | 5.5000 | H2O |
40 | 0.4138 | 0.2467 | 0.0620 | 10.0000 | H2O |
41 | -0.0300 | 0.0660 | -0.3720 | 0.0000 | H |
42 | 0.0280 | 0.0720 | -0.3460 | 0.0000 | H |
43 | 0.0430 | 0.1020 | 0.2920 | 0.0000 | H |
44 | 0.0350 | 0.1650 | 0.1070 | 0.0000 | H |
45 | 0.1020 | -0.0140 | 0.0000 | 0.0000 | H |
46 | 0.0780 | -0.0580 | -0.1950 | 0.0000 | H |
47 | 0.4740 | 0.1340 | -0.2560 | 0.0000 | H |
48 | 0.4550 | 0.1610 | -0.0440 | 0.0000 | H |
49 | 0.5940 | 0.0310 | 0.0410 | 0.0000 | H |
50 | 0.5750 | 0.0610 | 0.2500 | 0.0000 | H |
51 | 0.4470 | 0.0060 | 0.3490 | 0.0000 | H |
52 | 0.4760 | 0.0820 | 0.3500 | 0.0000 | H |
53 | 0.2220 | 0.3610 | -0.3370 | 0.0000 | H |
54 | 0.1910 | 0.2740 | -0.3520 | 0.0000 | H |
55 | 0.2680 | 0.1990 | 0.3790 | 0.0000 | H |
56 | 0.1630 | 0.5320 | 0.3760 | 0.0000 | H |
57 | 0.1430 | 0.5770 | -0.1440 | 0.0000 | H |
58 | 0.6320 | 0.0480 | 0.5290 | 0.0000 | H |
59 | 0.6010 | 0.1350 | 0.5350 | 0.0000 | H |
60 | 0.4620 | 0.2250 | 0.5070 | 0.0000 | H |
61 | 0.5200 | 0.2150 | 0.4850 | 0.0000 | H |
62 | 0.0630 | 0.2510 | -0.1510 | 0.0000 | H |
63 | 0.0650 | 0.3120 | 0.0400 | 0.0000 | H |
64 | 0.1540 | 0.6140 | 0.4210 | 0.0000 | H |
65 | 0.1290 | 0.6990 | 0.3360 | 0.0000 | H |