N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5688 | 0.3297 | 0.4075 | 0.0000 | U |
2 | 0.0698 | 0.8286 | -0.0974 | 0.0000 | U |
3 | 0.2612 | -0.0221 | 0.7531 | 0.0000 | U |
4 | 0.4260 | 0.1628 | 0.5795 | 0.0000 | U |
5 | 0.4385 | 0.8381 | -0.0872 | 0.0000 | U |
6 | 0.7534 | 0.4824 | 0.2507 | 0.0000 | U |
7 | 0.0521 | 0.5172 | 0.2438 | 0.0000 | U |
8 | 0.9351 | 0.3413 | 0.4100 | 0.0000 | U |
9 | 0.5829 | 0.6631 | 0.0827 | 0.0000 | U |
10 | 0.9343 | 0.6587 | 0.0725 | 0.0000 | U |
11 | 0.2551 | 0.6490 | 0.0938 | 0.0000 | U |
12 | 0.4372 | 0.5133 | 0.2464 | 0.0000 | U |
13 | 0.7511 | 0.1527 | 0.5959 | 0.0000 | U |
14 | 0.7431 | 0.8280 | -0.0563 | 0.0000 | U |
15 | 0.5499 | 0.0212 | 0.7477 | 0.0000 | U |
16 | 0.2448 | 0.3264 | 0.4418 | 0.0000 | U |
17 | 0.0825 | 0.1645 | 0.5774 | 0.0000 | U |
18 | -0.0632 | 0.0144 | 0.7449 | 0.0000 | U |
19 | 0.8319 | -0.1216 | 0.6233 | 0.0000 | Pb=0.9450 |
20 | 0.5439 | 0.7195 | 0.2679 | 0.0000 | Pb=0.8570 |
21 | 0.4702 | 0.2229 | 0.2732 | 0.0000 | Pb=0.8620 |
22 | 0.1883 | 0.3638 | 0.6358 | 0.0000 | Pb=0.8650 |
23 | 0.9778 | 0.4140 | 0.1144 | 0.0000 | Pb=0.7760 |
24 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Fe=0.6200, Mg=0.3800 |
25 | 0.1971 | 0.4301 | 0.0430 | 0.0000 | Pb=0.2420 |
26 | 0.0399 | 0.2196 | 0.7709 | 0.0000 | Pb=0.1450 |
27 | 0.3150 | 0.1421 | 0.8660 | 0.0000 | Pb=0.1420 |
28 | 0.0913 | -0.0665 | 0.7974 | 0.0000 | O |
29 | 0.0981 | 0.4323 | 0.3675 | 0.0000 | O |
30 | 0.4133 | -0.0543 | 0.8074 | 0.0000 | O |
31 | 0.4194 | 0.2765 | 0.4771 | 0.0000 | O |
32 | 0.9215 | 0.7776 | -0.0263 | 0.0000 | O |
33 | 0.2686 | 0.8320 | -0.1316 | 0.0000 | O |
34 | 0.5713 | 0.2598 | 0.3542 | 0.0000 | O |
35 | 0.9032 | 0.4544 | 0.3083 | 0.0000 | O |
36 | 0.3690 | 0.4284 | 0.3672 | 0.0000 | O |
37 | 0.6419 | 0.2013 | 0.4986 | 0.0000 | O |
38 | 0.7685 | 0.3286 | 0.3719 | 0.0000 | O |
39 | 0.6265 | 0.5420 | 0.1730 | 0.0000 | O |
40 | 0.5863 | 0.4432 | 0.3063 | 0.0000 | O |
41 | 0.0833 | 0.6081 | 0.1337 | 0.0000 | O |
42 | 0.2550 | 0.1903 | 0.5404 | 0.0000 | O |
43 | 0.7604 | 0.6852 | 0.0397 | 0.0000 | O |
44 | 0.8854 | 0.2093 | 0.4979 | 0.0000 | O |
45 | 0.7116 | 0.2575 | 0.6124 | 0.0000 | O |
46 | 0.5745 | 0.1264 | 0.6392 | 0.0000 | O |
47 | 0.0637 | 0.9043 | -0.0475 | 0.0000 | O |
48 | 0.3867 | 0.7066 | -0.0032 | 0.0000 | O |
49 | 0.8698 | 0.9316 | -0.1339 | 0.0000 | O |
50 | 0.5445 | 0.0730 | -0.0755 | 0.0000 | O |
51 | 0.5206 | 0.7666 | -0.1382 | 0.0000 | O |
52 | 0.2097 | 0.3929 | 0.4992 | 0.0000 | O |
53 | 0.2083 | 0.7539 | 0.1094 | 0.0000 | O |
54 | 0.8849 | 0.7363 | 0.1224 | 0.0000 | O |
55 | 0.0774 | 0.7525 | -0.1464 | 0.0000 | O |
56 | 0.1420 | 0.6983 | -0.0045 | 0.0000 | O |
57 | 0.5726 | 0.7294 | 0.1433 | 0.0000 | O |
58 | -0.0129 | 0.6115 | 0.2723 | 0.0000 | O |
59 | 0.5986 | 0.9344 | -0.1298 | 0.0000 | O |
60 | 0.0158 | 0.2690 | 0.3601 | 0.0000 | O |
61 | 0.0688 | 0.2863 | 0.4863 | 0.0000 | O |
62 | 0.4782 | 0.0771 | 0.5358 | 0.0000 | O |
63 | 0.7707 | 0.7686 | -0.1192 | 0.0000 | O |
64 | 0.1637 | 0.6895 | 0.3020 | 0.0000 | O |
65 | 0.3895 | 0.0552 | 0.6809 | 0.0000 | O |
66 | 0.8561 | 0.4141 | 0.4595 | 0.0000 | O |
67 | 0.8945 | 0.5407 | 0.1709 | 0.0000 | O |
68 | 0.1385 | 0.0415 | 0.6659 | 0.0000 | O |
69 | 0.7904 | 0.0467 | 0.5790 | 0.0000 | O |
70 | 0.2763 | 0.2681 | 0.3779 | 0.0000 | O |
71 | 0.3383 | 0.3772 | 0.1209 | 0.0000 | O |
72 | 0.8009 | 0.3874 | 0.2179 | 0.0000 | O |
73 | 0.5375 | 0.4237 | 0.0714 | 0.0000 | O |
74 | 0.7347 | 0.0708 | 0.7308 | 0.0000 | O |
75 | 0.2333 | 0.5642 | 0.2324 | 0.0000 | O |
76 | 0.4195 | 0.6215 | 0.1394 | 0.0000 | O |
77 | 0.4822 | 0.1088 | 0.7840 | 0.0000 | O |
78 | 0.3543 | 0.9081 | -0.0377 | 0.0000 | O |
79 | 0.6034 | 0.5921 | 0.0254 | 0.0000 | O |
80 | 0.1217 | 0.4186 | 0.2184 | 0.0000 | O |
81 | 0.1580 | -0.1941 | 0.6881 | 0.0000 | O |
82 | 0.1175 | 0.0890 | 0.5142 | 0.0000 | O |
83 | 0.5676 | 0.7897 | -0.0118 | 0.0000 | O |
84 | -0.0776 | -0.0694 | 0.7115 | 0.0000 | O |
85 | 0.4315 | 0.4200 | 0.2199 | 0.0000 | O |
86 | -0.0643 | 0.0997 | 0.7798 | 0.0000 | O |
87 | 0.7132 | 0.8952 | 0.0000 | 0.0000 | O |
88 | 0.2040 | 0.0675 | 0.7909 | 0.0000 | O |
89 | 0.3069 | -0.0600 | 0.5604 | 0.0000 | O |
90 | 0.4776 | -0.0868 | 0.6098 | 0.0000 | O |
91 | 0.0388 | -0.0868 | 0.5766 | 0.0000 | O |
92 | 0.0718 | 0.2366 | 0.6408 | 0.0000 | O |
93 | 0.4279 | 0.6030 | 0.2808 | 0.0000 | O |
94 | 0.0351 | 0.5711 | 0.4209 | 0.0000 | O |
95 | 0.6599 | 0.1895 | 0.8039 | 0.0000 | O |
96 | 0.2442 | 0.2423 | 0.7573 | 0.0000 | O |
97 | 0.1987 | 0.5528 | -0.0635 | 0.0000 | O |
98 | 0.1510 | 0.9506 | 0.0538 | 0.0000 | O |
99 | -0.0778 | 0.1231 | 0.6358 | 0.0000 | O |
100 | 0.3589 | 0.6964 | -0.1864 | 0.0000 | O |
101 | 0.2462 | 0.2491 | 0.2473 | 0.0000 | O |
102 | 0.9164 | 0.9136 | 0.0806 | 0.0000 | O |
103 | 0.4094 | 0.4197 | 0.5856 | 0.0000 | O |
104 | 0.3286 | 0.5479 | 0.4356 | 0.0000 | O |
105 | 0.0300 | 0.2780 | 0.2254 | 0.0000 | O |
106 | 0.9824 | 0.5753 | 0.0243 | 0.0000 | O |
107 | 0.5674 | 0.3984 | 0.4601 | 0.0000 | O |
108 | 0.3051 | 0.5430 | 0.0778 | 0.0000 | O |
109 | 0.6269 | -0.0711 | 0.7168 | 0.0000 | O |
110 | 0.3660 | 0.2459 | 0.6258 | 0.0000 | O |
111 | 0.3234 | -0.1116 | 0.7142 | 0.0000 | O |
112 | 0.7074 | 0.5843 | 0.2783 | 0.0000 | O |