N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5743 | 0.0000 | 0.0087 | 0.0000 | Mn |
2 | 0.7186 | 0.0000 | 0.0133 | 0.0000 | Mn |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mn |
4 | 0.8578 | 0.0000 | 0.0016 | 0.0000 | Mn |
5 | 0.5000 | 0.0697 | 0.0000 | 0.0000 | Mn |
6 | 0.6475 | 0.0703 | 0.0139 | 0.0000 | Mn |
7 | 0.7880 | 0.0700 | 0.0075 | 0.0000 | Mn |
8 | 0.9282 | 0.0709 | 0.0000 | 0.0000 | Mn |
9 | 0.5744 | 0.1428 | 0.0079 | 0.0000 | Mn |
10 | 0.7173 | 0.1429 | 0.0091 | 0.0000 | Mn |
11 | 0.8571 | 0.1430 | -0.0002 | 0.0000 | Mn |
12 | 0.0000 | 0.1436 | 0.0000 | 0.0000 | Mn |
13 | 0.5000 | 0.2135 | 0.0000 | 0.0000 | Mn |
14 | 0.6456 | 0.2135 | 0.0086 | 0.0000 | Mn |
15 | 0.7849 | 0.2150 | -0.0003 | 0.0000 | Mn |
16 | 0.9280 | 0.2143 | -0.0023 | 0.0000 | Mn |
17 | 0.4725 | 0.0680 | 0.2156 | 0.0000 | Si=0.8960, Al=0.1040 |
18 | 0.5427 | 0.1343 | 0.2201 | 0.0000 | Si=0.8960, Al=0.1040 |
19 | 0.6139 | 0.0681 | 0.2284 | 0.0000 | Si=0.8960, Al=0.1040 |
20 | 0.4043 | 0.1366 | 0.2148 | 0.0000 | Si=0.8960, Al=0.1040 |
21 | 0.4056 | 0.2723 | 0.2191 | 0.0000 | Si=0.8960, Al=0.1040 |
22 | 0.4750 | 0.3381 | 0.2203 | 0.0000 | Si=0.8960, Al=0.1040 |
23 | 0.5436 | 0.2701 | 0.2216 | 0.0000 | Si=0.8960, Al=0.1040 |
24 | 0.5022 | 0.4316 | 0.3778 | 0.0000 | Si=0.8960, Al=0.1040 |
25 | 0.6946 | 0.1603 | 0.3800 | 0.0000 | Si=0.8960, Al=0.1040 |
26 | 0.6549 | 0.2779 | 0.3790 | 0.0000 | Si=0.8960, Al=0.1040 |
27 | 0.3366 | 0.0679 | 0.2156 | 0.0000 | Si=0.8960, Al=0.1040 |
28 | 0.2701 | 0.1369 | 0.2192 | 0.0000 | Si=0.8960, Al=0.1040 |
29 | 0.2030 | 0.0679 | 0.2218 | 0.0000 | Si=0.8960, Al=0.1040 |
30 | 0.3410 | 0.3428 | 0.2275 | 0.0000 | Si=0.8960, Al=0.1040 |
31 | 0.2738 | 0.2726 | 0.2275 | 0.0000 | Si=0.8960, Al=0.1040 |
32 | 0.4251 | 0.4293 | 0.3821 | 0.0000 | Si=0.8960, Al=0.1040 |
33 | 0.2236 | 0.1549 | 0.3798 | 0.0000 | Si=0.8960, Al=0.1040 |
34 | 0.2634 | 0.2723 | 0.3810 | 0.0000 | Si=0.8960, Al=0.1040 |
35 | 0.6544 | 0.0000 | 0.1106 | 0.0000 | O |
36 | 0.7980 | 0.0000 | 0.1086 | 0.0000 | O |
37 | 0.9374 | 0.0000 | 0.0990 | 0.0000 | O |
38 | 0.0796 | 0.0000 | 0.0973 | 0.0000 | O |
39 | 0.2215 | 0.0000 | 0.0931 | 0.0000 | O |
40 | 0.3611 | 0.0000 | 0.0851 | 0.0000 | O |
41 | 0.5061 | 0.0000 | 0.0963 | 0.0000 | O |
42 | 0.7269 | 0.0723 | 0.1091 | 0.0000 | O |
43 | 0.8670 | 0.0718 | 0.0994 | 0.0000 | O |
44 | 0.0078 | 0.0718 | 0.0961 | 0.0000 | O |
45 | 0.1515 | 0.0712 | 0.0971 | 0.0000 | O |
46 | 0.2913 | 0.0706 | 0.0869 | 0.0000 | O |
47 | 0.4325 | 0.0710 | 0.0868 | 0.0000 | O |
48 | 0.5801 | 0.0718 | 0.1018 | 0.0000 | O |
49 | 0.6544 | 0.1429 | 0.1074 | 0.0000 | O |
50 | 0.7963 | 0.1439 | 0.1011 | 0.0000 | O |
51 | 0.9366 | 0.1433 | 0.0960 | 0.0000 | O |
52 | 0.0796 | 0.1419 | 0.0970 | 0.0000 | O |
53 | 0.2219 | 0.1413 | 0.0919 | 0.0000 | O |
54 | 0.3621 | 0.1409 | 0.0859 | 0.0000 | O |
55 | 0.5056 | 0.1416 | 0.0926 | 0.0000 | O |
56 | 0.7248 | 0.2161 | 0.1025 | 0.0000 | O |
57 | 0.8638 | 0.2165 | 0.0917 | 0.0000 | O |
58 | 0.0078 | 0.2152 | 0.0964 | 0.0000 | O |
59 | 0.1518 | 0.2130 | 0.0999 | 0.0000 | O |
60 | 0.2946 | 0.2118 | 0.0960 | 0.0000 | O |
61 | 0.4344 | 0.2134 | 0.0910 | 0.0000 | O |
62 | 0.5799 | 0.2151 | 0.0997 | 0.0000 | O |
63 | 0.5191 | 0.1046 | 0.2571 | 0.0000 | O |
64 | 0.5868 | 0.0923 | 0.2604 | 0.0000 | O |
65 | 0.6624 | 0.1081 | 0.2927 | 0.0000 | O |
66 | 0.4505 | 0.0998 | 0.2546 | 0.0000 | O |
67 | 0.4196 | 0.2041 | 0.2563 | 0.0000 | O |
68 | 0.5192 | 0.2974 | 0.2581 | 0.0000 | O |
69 | 0.5000 | 0.3958 | 0.2964 | 0.0000 | O |
70 | 0.4529 | 0.3058 | 0.2588 | 0.0000 | O |
71 | 0.5570 | 0.2020 | 0.2600 | 0.0000 | O |
72 | 0.5980 | 0.2976 | 0.2960 | 0.0000 | O |
73 | 0.5032 | 0.5000 | 0.3542 | 0.0000 | O |
74 | 0.4548 | 0.4134 | 0.3531 | 0.0000 | O |
75 | 0.6603 | 0.2175 | 0.3403 | 0.0000 | O |
76 | 0.4867 | 0.0000 | 0.2545 | 0.0000 | O |
77 | 0.6341 | 0.0000 | 0.2647 | 0.0000 | O |
78 | 0.6853 | 0.3303 | 0.3864 | 0.0000 | O |
79 | 0.7245 | 0.1397 | 0.5000 | 0.0000 | O |
80 | 0.6816 | 0.2668 | 0.5000 | 0.0000 | O |
81 | 0.5500 | 0.4124 | 0.5000 | 0.0000 | O |
82 | 0.3155 | 0.0993 | 0.2570 | 0.0000 | O |
83 | 0.2497 | 0.1021 | 0.2597 | 0.0000 | O |
84 | 0.1997 | 0.1007 | 0.2966 | 0.0000 | O |
85 | 0.3827 | 0.1045 | 0.2546 | 0.0000 | O |
86 | 0.3195 | 0.3109 | 0.2675 | 0.0000 | O |
87 | 0.3699 | 0.4030 | 0.2928 | 0.0000 | O |
88 | 0.3837 | 0.3008 | 0.2605 | 0.0000 | O |
89 | 0.2885 | 0.2040 | 0.2605 | 0.0000 | O |
90 | 0.2639 | 0.2949 | 0.2963 | 0.0000 | O |
91 | 0.4284 | 0.5000 | 0.3868 | 0.0000 | O |
92 | 0.2323 | 0.2119 | 0.3409 | 0.0000 | O |
93 | 0.3512 | 0.0000 | 0.2544 | 0.0000 | O |
94 | 0.2185 | 0.0000 | 0.2601 | 0.0000 | O |
95 | 0.2366 | 0.3248 | 0.3847 | 0.0000 | O |
96 | 0.0568 | 0.2000 | 0.4750 | 0.0000 | K=0.3130 |
97 | 0.1234 | 0.0000 | 0.4750 | 0.0000 | K=0.3130 |
98 | 0.2401 | 0.0000 | 0.4750 | 0.0000 | K=0.3130 |
99 | 0.1151 | 0.3750 | 0.4750 | 0.0000 | K=0.3130 |
100 | 0.9234 | 0.2000 | 0.4750 | 0.0000 | K=0.3130 |
101 | 0.8568 | 0.0000 | 0.4750 | 0.0000 | K=0.3130 |
102 | 0.7401 | 0.0000 | 0.4750 | 0.0000 | K=0.3130 |
103 | 0.8651 | 0.3750 | 0.4750 | 0.0000 | K=0.3130 |