N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5668 | 0.7852 | 0.1895 | 0.0000 | La |
2 | 0.2129 | 0.1087 | 0.1898 | 0.0000 | La |
3 | 0.8894 | 0.4356 | 0.1894 | 0.0000 | La |
4 | 0.5579 | 0.9520 | 0.2772 | 0.0000 | Mn=0.7200, Fe=0.2800 |
5 | 0.3631 | 0.1101 | 0.2791 | 0.0000 | Mn=0.7200, Fe=0.2800 |
6 | 0.4145 | 0.6357 | 0.2790 | 0.0000 | Mn=0.7200, Fe=0.2800 |
7 | 0.7339 | 0.7774 | 0.2790 | 0.0000 | Mn=0.7200, Fe=0.2800 |
8 | 0.0435 | 0.9326 | 0.2788 | 0.0000 | Mn |
9 | 0.2218 | 0.2860 | 0.2769 | 0.0000 | Mn=0.7200, Fe=0.2800 |
10 | 0.7150 | 0.2654 | 0.2784 | 0.0000 | Mn=0.7200, Fe=0.2800 |
11 | 0.0633 | 0.4400 | 0.2783 | 0.0000 | Mn=0.7200, Fe=0.2800 |
12 | 0.8885 | 0.5852 | 0.2782 | 0.0000 | Mn=0.7200, Fe=0.2800 |
13 | 0.2175 | 0.2707 | 0.0236 | 0.0000 | Mn=0.7200, Fe=0.2800 |
14 | 0.0504 | 0.4387 | 0.0189 | 0.0000 | Mn=0.7200, Fe=0.2800 |
15 | 0.5541 | 0.4450 | 0.0243 | 0.0000 | Mn |
16 | 0.2200 | 0.7710 | 0.0239 | 0.0000 | Mn |
17 | 0.8795 | 0.1082 | 0.0239 | 0.0000 | Mn |
18 | 0.3862 | 0.2806 | 0.3531 | 0.0000 | Mn=0.7200, Fe=0.2800 |
19 | 0.2165 | 0.9420 | 0.3515 | 0.0000 | Mn=0.7200, Fe=0.2800 |
20 | 0.7188 | 0.4335 | 0.3547 | 0.0000 | Mn=0.7200, Fe=0.2800 |
21 | 0.8939 | 0.2765 | 0.3558 | 0.0000 | Mn=0.7200, Fe=0.2800 |
22 | 0.3958 | 0.7877 | 0.3552 | 0.0000 | Mn=0.7200, Fe=0.2800 |
23 | 0.0600 | 0.6086 | 0.3531 | 0.0000 | Mn=0.7200, Fe=0.2800 |
24 | 0.0565 | 0.1111 | 0.3580 | 0.0000 | Cu |
25 | 0.3755 | 0.2641 | 0.1013 | 0.0000 | Mn=0.7200, Fe=0.2800 |
26 | 0.7232 | 0.9443 | 0.0996 | 0.0000 | Mn=0.7200, Fe=0.2800 |
27 | 0.0564 | 0.6108 | 0.0999 | 0.0000 | Mn=0.7200, Fe=0.2800 |
28 | 0.2188 | 0.9370 | 0.1020 | 0.0000 | Mn=0.7200, Fe=0.2800 |
29 | 0.5569 | 0.6064 | 0.1006 | 0.0000 | Mn=0.7200, Fe=0.2800 |
30 | 0.7165 | 0.4427 | 0.1001 | 0.0000 | Mn=0.7200, Fe=0.2800 |
31 | 0.3988 | 0.7746 | 0.0997 | 0.0000 | Mn=0.7200, Fe=0.2800 |
32 | 0.0484 | 0.1053 | 0.1014 | 0.0000 | Mn=0.7200, Fe=0.2800 |
33 | 0.8853 | 0.2852 | 0.0987 | 0.0000 | Mn=0.7200, Fe=0.2800 |
34 | 0.2378 | 0.4605 | 0.2060 | 0.0000 | Si |
35 | 0.5482 | 0.4339 | 0.1719 | 0.0000 | Si |
36 | 0.5379 | 0.1097 | 0.2069 | 0.0000 | Si |
37 | 0.2247 | 0.7697 | 0.1720 | 0.0000 | Si |
38 | 0.8871 | 0.7588 | 0.2065 | 0.0000 | Si |
39 | 0.8855 | 0.1100 | 0.1716 | 0.0000 | Si |
40 | 0.2228 | 0.7759 | 0.2683 | 0.0000 | Si |
41 | 0.5553 | 0.4453 | 0.2681 | 0.0000 | Si |
42 | -0.1084 | 0.1100 | 0.2682 | 0.0000 | Si |
43 | 0.5519 | 0.1058 | 0.1099 | 0.0000 | Si |
44 | 0.2232 | 0.4442 | 0.1108 | 0.0000 | Si |
45 | 0.8860 | 0.7720 | 0.1106 | 0.0000 | Si |
46 | 0.2290 | 0.7750 | 0.2210 | 0.0000 | O |
47 | 0.8900 | 0.1170 | 0.2189 | 0.0000 | O |
48 | 0.5380 | 0.9730 | 0.2200 | 0.0000 | O |
49 | 0.1000 | 0.4570 | 0.2207 | 0.0000 | O |
50 | 0.3740 | 0.5960 | 0.2225 | 0.0000 | O |
51 | 0.0240 | 0.8920 | 0.2213 | 0.0000 | O |
52 | 0.5550 | 0.6340 | 0.0397 | 0.0000 | O |
53 | 0.0810 | 0.1080 | 0.0443 | 0.0000 | O |
54 | 0.3580 | 0.2460 | 0.0471 | 0.0000 | O |
55 | 0.1890 | 0.1120 | 0.2656 | 0.0000 | O |
56 | 0.3580 | 0.7790 | 0.2852 | 0.0000 | O |
57 | 0.5720 | 0.5830 | 0.2880 | 0.0000 | O |
58 | 0.8820 | 0.6220 | 0.2219 | 0.0000 | O |
59 | 0.0940 | 0.6360 | 0.2879 | 0.0000 | O |
60 | 0.0350 | 0.5870 | 0.0415 | 0.0000 | O |
61 | 0.5440 | 0.4290 | 0.0878 | 0.0000 | O |
62 | 0.8820 | 0.3060 | 0.0387 | 0.0000 | O |
63 | 0.2490 | 0.4760 | 0.2917 | 0.0000 | O |
64 | 0.0330 | 0.2530 | 0.3797 | 0.0000 | O |
65 | 0.5550 | 0.2990 | 0.3741 | 0.0000 | O |
66 | 0.0850 | 0.4350 | 0.0922 | 0.0000 | O |
67 | 0.2300 | 0.6430 | 0.3738 | 0.0000 | O |
68 | 0.5700 | -0.0090 | 0.0938 | 0.0000 | O |
69 | 0.3430 | 0.5540 | 0.0896 | 0.0000 | O |
70 | 0.4250 | 0.0980 | 0.0909 | 0.0000 | O |
71 | 0.6670 | 0.2250 | 0.0912 | 0.0000 | O |
72 | 0.2240 | 0.3130 | 0.0961 | 0.0000 | O |
73 | 0.5360 | 0.1050 | 0.1584 | 0.0000 | O |
74 | 0.8840 | 0.7610 | 0.1582 | 0.0000 | O |
75 | 0.3610 | 0.7800 | 0.1554 | 0.0000 | O |
76 | 0.0840 | 0.6390 | 0.1538 | 0.0000 | O |
77 | 0.4140 | 0.2990 | 0.1552 | 0.0000 | O |
78 | 0.0200 | 0.1150 | 0.1570 | 0.0000 | O |
79 | 0.2250 | 0.4480 | 0.1589 | 0.0000 | O |
80 | 0.5720 | 0.7760 | 0.1121 | 0.0000 | O |
81 | 0.2050 | 0.0930 | 0.1161 | 0.0000 | O |
82 | -0.1200 | 0.4440 | 0.1141 | 0.0000 | O |
83 | -0.1140 | 0.1110 | 0.0876 | 0.0000 | O |
84 | 0.6930 | 0.9220 | 0.0412 | 0.0000 | O |
85 | 0.0150 | 0.7810 | 0.0905 | 0.0000 | O |
86 | 0.8630 | 0.8950 | 0.0956 | 0.0000 | O |
87 | 0.7490 | 0.6330 | 0.0977 | 0.0000 | O |
88 | 0.0120 | 0.2240 | 0.2873 | 0.0000 | O |
89 | 0.8860 | 0.7450 | 0.2920 | 0.0000 | O |
90 | 0.0700 | 0.9690 | 0.3360 | 0.0000 | O |
91 | 0.4310 | 0.6540 | 0.3387 | 0.0000 | O |
92 | 0.2130 | 0.2540 | 0.3373 | 0.0000 | O |
93 | 0.3460 | 0.1100 | 0.3350 | 0.0000 | O |
94 | 0.0310 | 0.4350 | 0.3358 | 0.0000 | O |
95 | 0.8900 | 0.5660 | 0.3375 | 0.0000 | O |
96 | 0.5670 | 0.9270 | 0.3379 | 0.0000 | O |
97 | 0.5230 | 0.1110 | 0.2895 | 0.0000 | O |
98 | 0.7040 | 0.7860 | 0.3363 | 0.0000 | O |
99 | 0.7480 | 0.2890 | 0.3363 | 0.0000 | O |
100 | 0.6790 | 0.4360 | 0.1554 | 0.0000 | O |
101 | 0.6720 | 0.2470 | 0.2198 | 0.0000 | O |
102 | 0.2350 | 0.3230 | 0.2201 | 0.0000 | O |
103 | 0.5580 | 0.4400 | 0.2217 | 0.0000 | O |
104 | 0.5500 | 0.5700 | 0.1556 | 0.0000 | O |
105 | 0.8850 | 0.2490 | 0.1570 | 0.0000 | O |
106 | 0.7560 | 0.9800 | 0.1529 | 0.0000 | O |
107 | 0.2240 | 0.7740 | 0.0872 | 0.0000 | O |
108 | 0.6760 | 0.4280 | 0.2869 | 0.0000 | O |
109 | 0.2210 | 0.9130 | 0.2855 | 0.0000 | O |
110 | 0.4160 | 0.3130 | 0.2851 | 0.0000 | O |
111 | 0.2250 | 0.9090 | 0.1572 | 0.0000 | O |
112 | -0.1270 | 0.9640 | 0.2839 | 0.0000 | O |
113 | 0.7600 | 0.1130 | 0.2834 | 0.0000 | O |
114 | 0.5910 | 0.8140 | 0.2655 | 0.0000 | O |
115 | 0.8860 | 0.4090 | 0.2638 | 0.0000 | O |
116 | 0.7550 | 0.7610 | 0.2235 | 0.0000 | O |
117 | 0.4080 | 0.1090 | 0.2226 | 0.0000 | O |
118 | 0.1890 | 0.1120 | 0.2656 | 0.0000 | O |
119 | 0.3580 | 0.7790 | 0.2852 | 0.0000 | O |
120 | 0.5720 | 0.5830 | 0.2880 | 0.0000 | O |
121 | 0.8820 | 0.6220 | 0.2219 | 0.0000 | O |
122 | 0.0940 | 0.6360 | 0.2879 | 0.0000 | O |