International
Tables for
Crystallography
Volume C
Mathematical, physical and chemical tables
Edited by E. Prince

International Tables for Crystallography (2006). Vol. C, ch. 6.1, pp. 566-577

Table 6.1.1.3 

E. N. Maslen,e A. G. Foxb and M. A. O'Keefec

Table 6.1.1.3| top | pdf |
Mean atomic scattering factors in electrons for chemically significant ions

Methods: C: correlated; HF: non-relativistic Hartree–Fock; RHF: relativistic Hartree–Fock; *DS: modified Dirac–Slater.

ElementH1−Li1+Be2+CvalO1−F1−Na1+Mg2+Al3+Sival
Z13468911121314
MethodCCCHFHFHFRHFRHFHFHF
(sin [\theta])/λ (Å−1)          
0.00 2.000 2.000 2.000 6.000 9.000 10.000 10.000 10.000 10.000 14.000
0.01 1.983 1.999 1.999 5.989 8.986 9.988 9.995 9.997 9.997 13.973
0.02 1.933 1.997 1.999 5.956 8.945 9.953 9.981 9.986 9.989 13.894
0.03 1.857 1.994 1.997 5.903 8.878 9.895 9.958 9.969 9.976 13.766
0.04 1.763 1.990 1.995 5.829 8.785 9.816 9.925 9.945 9.957 13.593
0.05 1.659 1.984 1.992 5.738 8.670 9.716 9.883 9.914 9.933 13.381
0.06 1.550 1.977 1.988 5.629 8.534 9.597 9.833 9.876 9.904 13.138
0.07 1.442 1.968 1.983 5.507 8.381 9.461 9.773 9.832 9.870 12.870
0.08 1.338 1.959 1.978 5.372 8.211 9.309 9.705 9.782 9.831 12.586
0.09 1.238 1.948 1.973 5.227 8.029 9.144 9.630 9.725 9.787 12.293
0.10 1.145 1.936 1.966 5.074 7.836 8.967 9.546 9.662 9.738 11.995
0.11 1.058 1.923 1.959 4.916 7.635 8.781 9.455 9.594 9.684 11.700
0.12 0.978 1.909 1.952 4.754 7.429 8.586 9.357 9.519 9.625 11.410
0.13 0.904 1.894 1.944 4.591 7.218 8.386 9.253 9.440 9.563 11.130
0.14 0.836 1.877 1.935 4.428 7.005 8.181 9.142 9.355 9.495 10.862
0.15 0.773 1.860 1.925 4.267 6.792 7.973 9.026 9.265 9.424 10.608
0.16 0.715 1.842 1.915 4.109 6.579 7.762 8.904 9.171 9.349 10.368
0.17 0.661 1.823 1.905 3.954 6.368 7.551 8.777 9.072 9.270 10.143
0.18 0.612 1.804 1.894 3.805 6.160 7.341 8.647 8.969 9.187 9.933
0.19 0.567 1.783 1.882 3.661 5.956 7.131 8.512 8.862 9.101 9.737
0.20 0.526 1.762 1.870 3.523 5.756 6.924 8.374 8.751 9.011 9.553
0.22 0.452 1.718 1.845 3.266 5.371 6.517 8.089 8.521 8.823 9.222
0.24 0.390 1.671 1.817 3.035 5.008 6.126 7.795 8.280 8.623 8.931
0.25 0.362 1.647 1.803 2.930 4.836 5.937 7.646 8.156 8.520 8.798
0.26 0.337 1.623 1.788 2.831 4.670 5.753 7.496 8.030 8.414 8.671
0.28 0.291 1.573 1.758 2.651 4.357 5.399 7.195 7.774 8.198 8.435
0.30 0.253 1.523 1.726 2.495 4.068 5.067 6.894 7.513 7.975 8.214
0.32 0.220 1.471 1.692 2.358 3.804 4.756 6.597 7.251 7.747 8.005
0.34 0.192 1.419 1.658 2.241 3.564 4.467 6.304 6.987 7.515 7.803
0.35 0.179 1.394 1.641 2.188 3.452 4.330 6.160 6.856 7.399 7.704
0.36 0.168 1.368 1.623 2.139 3.345 4.199 6.018 6.725 7.282 7.606
0.38 0.147 1.316 1.587 2.050 3.147 3.951 5.739 6.465 7.047 7.410
0.40 0.129 1.265 1.551 1.974 2.969 3.724 5.471 6.210 6.813 7.215
0.42 0.113 1.215 1.514 1.907 2.808 3.514 5.212 5.959 6.581 7.021
0.44 0.100 1.165 1.476 1.849 2.663 3.322 4.964 5.715 6.350 6.826
0.45 0.094 1.141 1.458 1.822 2.597 3.233 4.845 5.595 6.237 6.729
0.46 0.089 1.117 1.439 1.798 2.533 3.147 4.728 5.477 6.124 6.632
0.48 0.079 1.069 1.401 1.752 2.417 2.987 4.503 5.247 5.901 6.437
0.50 0.070 1.023 1.364 1.711 2.313 2.841 4.290 5.025 5.683 6.244
0.55 0.0526 0.914 1.270 1.624 2.097 2.531 3.808 4.508 5.162 5.766
0.60 0.0401 0.814 1.179 1.552 1.934 2.288 3.395 4.046 4.681 5.303
0.65 0.0311 0.724 1.091 1.488 1.808 2.096 3.046 3.641 4.243 4.865
0.70 0.0243 0.643 1.007 1.428 1.710 1.945 2.753 3.288 3.851 4.455
0.80 0.0155 0.507 0.852 1.315 1.567 1.729 2.305 2.724 3.195 3.734
0.90 0.0102 0.400 0.717 1.204 1.463 1.585 1.997 2.315 2.693 3.150
1.00 0.0070 0.317 0.602 1.096 1.376 1.481 1.785 2.023 2.319 2.691
1.10 0.0049 0.253 0.505 0.992 1.296 1.397 1.635 1.813 2.041 2.338
1.20 0.0036 0.203 0.424 0.894 1.219 1.322 1.524 1.662 1.837 2.069
1.30 0.0026 0.164 0.357 0.802 1.143 1.252 1.438 1.548 1.685 1.867
1.40 0.0020 0.133 0.301 0.718 1.067 1.184 1.367 1.460 1.570 1.713
1.50 0.0015 0.109 0.255 0.642 0.994 1.117 1.304 1.388 1.479 1.595
1.60 0.0012 0.090 0.216       1.246 1.326    
1.70 0.0009 0.075 0.184       1.191 1.270    
1.80 0.0008 0.062 0.157       1.137 1.218    
1.90 0.0006 0.053 0.135       1.084 1.168    
2.00 0.0005 0.044 0.116       1.032 1.119    

ElementSi4+Cl1−K1+Ca2+Sc3+Ti2+Ti3+Ti4+V2+V3+
Z14171920212222222323
MethodHFRHFRHFRHFHFHFHFHFRHFHF
(sin [\theta])/λ (Å−1)          
0.00 10.000 18.000 18.000 18.000 18.000 20.000 19.000 18.000 21.000 20.000
0.01 9.998 17.972 17.986 17.989 17.991 19.988 18.990 17.992 20.988 19.990
0.02 9.991 17.888 17.943 17.955 17.963 19.951 18.962 17.969 20.952 19.961
0.03 9.981 17.751 17.872 17.899 17.917 19.891 18.914 17.930 20.892 19.913
0.04 9.966 17.563 17.774 17.821 17.853 19.807 18.848 17.877 20.808 19.846
0.05 9.947 17.330 17.649 17.721 17.771 19.701 18.764 17.808 20.702 19.760
0.06 9.924 17.057 17.499 17.601 17.672 19.572 18.662 17.725 20.573 19.657
0.07 9.896 16.750 17.325 17.462 17.556 19.423 18.543 17.628 20.424 19.536
0.08 9.865 16.415 17.129 17.303 17.424 19.253 18.407 17.516 20.255 19.398
0.09 9.829 16.058 16.912 17.127 17.278 19.065 18.255 17.392 20.066 19.244
0.10 9.790 15.685 16.677 16.935 17.116 18.860 18.089 17.255 19.861 19.075
0.11 9.747 15.301 16.426 16.727 16.941 18.639 17.909 17.106 19.639 18.892
0.12 9.700 14.911 16.160 16.506 16.754 18.404 17.716 16.946 19.402 18.695
0.13 9.649 14.519 15.882 16.272 16.555 18.156 17.510 16.775 19.152 18.485
0.14 9.595 14.130 15.594 16.028 16.345 17.896 17.294 16.593 18.890 18.265
0.15 9.537 13.747 15.297 15.774 16.126 17.626 17.067 16.403 18.618 18.033
0.16 9.476 13.371 14.994 15.512 15.898 17.348 16.832 16.205 18.336 17.793
0.17 9.411 13.006 14.688 15.244 15.662 17.062 16.589 15.998 18.047 17.544
0.18 9.343 12.653 14.378 14.970 15.421 16.771 16.339 15.785 17.751 17.287
0.19 9.272 12.313 14.069 14.692 15.173 16.475 16.083 15.566 17.450 17.025
0.20 9.199 11.987 13.760 14.412 14.922 16.176 15.822 15.342 17.146 16.757
0.22 9.043 11.379 13.150 13.850 14.410 15.574 15.291 14.881 16.529 16.210
0.24 8.877 10.832 12.560 13.292 13.893 14.972 14.752 14.408 15.910 15.653
0.25 8.790 10.580 12.275 13.017 13.634 14.673 14.482 14.170 15.602 15.373
0.26 8.701 10.343 11.997 12.745 13.377 14.377 14.213 13.930 15.296 15.093
0.28 8.518 9.908 11.467 12.217 12.869 13.797 13.680 13.452 14.694 14.537
0.30 8.327 9.524 10.972 11.713 12.374 13.236 13.157 12.979 14.107 13.989
0.32 8.131 9.184 10.515 11.235 11.896 12.697 12.650 12.515 13.541 13.455
0.34 7.929 8.884 10.097 10.787 11.438 12.184 12.162 12.064 12.998 12.938
0.35 7.827 8.746 9.901 10.575 11.218 11.938 11.926 11.844 12.736 12.687
0.36 7.724 8.616 9.715 10.370 11.004 11.698 11.696 11.628 12.481 12.441
0.38 7.516 8.377 9.369 9.984 10.595 11.242 11.254 11.211 11.991 11.967
0.40 7.306 8.162 9.056 9.629 10.212 10.815 10.837 10.815 11.530 11.517
0.42 7.095 7.965 8.773 9.303 9.855 10.417 10.446 10.439 11.096 11.092
0.44 6.884 7.785 8.518 9.006 9.524 10.047 10.080 10.086 10.692 10.692
0.45 6.779 7.699 8.399 8.867 9.368 9.873 9.907 9.917 10.500 10.502
0.46 6.674 7.616 8.287 8.734 9.218 9.706 9.740 9.754 10.315 10.318
0.48 6.465 7.457 8.077 8.487 8.937 9.391 9.426 9.445 9.965 9.969
0.50 6.259 7.305 7.886 8.262 8.678 9.102 9.135 9.158 9.641 9.645
0.55 5.755 6.945 7.474 7.781 8.121 8.477 8.503 8.529 8.935 8.936
0.60 5.277 6.600 7.125 7.389 7.670 7.972 7.990 8.012 8.359 8.354
0.65 4.830 6.259 6.814 7.058 7.298 7.560 7.571 7.588 7.889 7.878
0.70 4.418 5.920 6.523 6.764 6.982 7.216 7.222 7.234 7.501 7.485
0.80 3.701 5.248 5.962 6.231 6.445 6.656 6.658 6.664 6.892 6.870
0.90 3.124 4.608 5.406 5.719 5.961 6.179 6.182 6.189 6.407 6.384
1.00 2.673 4.024 4.859 5.209 5.488 5.728 5.734 5.745 5.973 5.950
1.10 2.326 3.509 4.336 4.710 5.017 5.282 5.291 5.306 5.553 5.531
1.20 2.063 3.070 3.854 4.232 4.556 4.840 4.852 4.870 5.137 5.116
1.30 1.864 2.705 3.423 3.790 4.115 4.411 4.425 4.443 4.727 4.705
1.40 1.712 2.405 3.045 3.390 3.706 4.004 4.017 4.035 4.330 4.307
1.50 1.595 2.162 2.722 3.038 3.335 3.626 3.638 3.655 3.952 3.929
1.60   1.968 2.449 2.732         3.600  
1.70   1.811 2.221 2.470         3.278  
1.80   1.686 2.033 2.250         2.989  
1.90   1.585 1.877 2.064         2.731  
2.00   1.502 1.749 1.909         2.505  

ElementV5+Cr2+Cr3+Mn2+Mn3+Mn4+Fe2+Fe3+Co2+Co3+
Z23242425252526262727
MethodHFHFHFRHFHFHFRHFRHFRHFHF
(sin [\theta])/λ (Å−1)          
0.00 18.000 22.000 21.000 23.000 22.000 21.000 24.000 23.000 25.000 24.000
0.01 17.993 21.988 20.990 22.988 21.990 20.992 23.989 22.991 24.989 23.990
0.02 17.974 21.952 20.961 22.953 21.961 20.968 23.954 22.962 24.954 23.962
0.03 17.941 21.892 20.913 22.894 21.913 20.927 23.895 22.914 24.897 23.914
0.04 17.895 21.808 20.845 22.812 21.846 20.871 23.814 22.848 24.818 23.848
0.05 17.837 21.702 20.759 22.707 21.760 20.799 23.711 22.763 24.716 23.764
0.06 17.766 21.574 20.655 22.581 21.656 20.712 23.587 22.660 24.593 23.661
0.07 17.682 21.425 20.534 22.433 21.534 20.610 23.441 22.539 24.450 23.541
0.08 17.587 21.256 20.395 22.266 21.395 20.493 23.276 22.401 24.287 23.404
0.09 17.480 21.067 20.240 22.080 21.240 20.363 23.091 22.247 24.104 23.250
0.10 17.362 20.861 20.069 21.875 21.070 20.218 22.889 22.078 23.904 23.081
0.11 17.234 20.638 19.884 21.654 20.884 20.061 22.669 21.893 23.687 22.896
0.12 17.095 20.400 19.685 21.418 20.684 19.891 22.435 21.695 23.455 22.698
0.13 16.946 20.148 19.474 21.167 20.472 19.710 22.185 21.483 23.207 22.486
0.14 16.789 19.884 19.250 20.904 20.247 19.517 21.923 21.258 22.946 22.261
0.15 16.622 19.609 19.016 20.629 20.011 19.315 21.648 21.023 22.673 22.024
0.16 16.448 19.324 18.772 20.344 19.765 19.102 21.363 20.776 22.389 21.777
0.17 16.266 19.030 18.519 20.050 19.509 18.881 21.068 20.521 22.095 21.520
0.18 16.078 18.729 18.258 19.748 19.246 18.652 20.765 20.256 21.791 21.253
0.19 15.883 18.423 17.991 19.440 18.975 18.415 20.455 19.984 21.481 20.978
0.20 15.683 18.112 17.718 19.126 18.697 18.172 20.140 19.705 21.164 20.696
0.22 15.268 17.481 17.157 18.488 18.127 17.669 19.494 19.130 20.514 20.114
0.24 14.839 16.845 16.585 17.841 17.543 17.149 18.838 18.538 19.850 19.513
0.25 14.620 16.527 16.297 17.517 17.247 16.884 18.508 18.238 19.516 19.207
0.26 14.399 16.210 16.008 17.193 16.951 16.617 18.178 17.937 19.180 18.899
0.28 13.955 15.584 15.431 16.551 16.357 16.079 17.520 17.331 18.510 18.280
0.30 13.509 14.972 14.862 15.920 15.768 15.540 16.871 16.727 17.845 17.659
0.32 13.067 14.378 14.303 15.304 15.187 15.005 16.234 16.130 17.191 17.043
0.34 12.631 13.805 13.759 14.707 14.619 14.477 15.614 15.543 16.550 16.435
0.35 12.417 13.528 13.494 14.417 14.341 14.217 15.312 15.254 16.236 16.135
0.36 12.205 13.257 13.234 14.132 14.068 13.961 15.014 14.970 15.927 15.838
0.38 11.792 12.734 12.730 13.581 13.536 13.458 14.436 14.414 15.324 15.258
0.40 11.392 12.238 12.248 13.055 13.024 12.972 13.881 13.877 14.743 14.694
0.42 11.010 11.770 11.790 12.556 12.536 12.504 13.352 13.361 14.186 14.151
0.44 10.644 11.330 11.357 12.083 12.072 12.057 12.848 12.868 13.653 13.629
0.45 10.469 11.121 11.150 11.857 11.848 11.841 12.606 12.630 13.396 13.376
0.46 10.298 10.918 10.950 11.638 11.632 11.630 12.370 12.398 13.146 13.129
0.48 9.970 10.533 10.567 11.219 11.216 11.225 11.919 11.953 12.664 12.652
0.50 9.662 10.174 10.210 10.827 10.826 10.843 11.494 11.531 12.207 12.200
0.55 8.973 9.386 9.419 9.954 9.956 9.982 10.542 10.581 11.176 11.171
0.60 8.396 8.737 8.764 9.229 9.223 9.252 9.737 9.772 10.293 10.286
0.65 7.915 8.205 8.224 8.626 8.615 8.641 9.063 9.092 9.546 9.534
0.70 7.515 7.766 7.779 8.128 8.111 8.132 8.501 8.523 8.917 8.900
0.80 6.888 7.091 7.095 7.365 7.341 7.352 7.640 7.651 7.948 7.921
0.90 6.399 6.578 6.580 6.808 6.779 6.785 7.023 7.026 7.257 7.224
1.00 5.968 6.143 6.145 6.360 6.330 6.334 6.546 6.548 6.739 6.703
1.10 5.556 5.738 5.742 5.963 5.933 5.938 6.144 6.145 6.320 6.283
1.20 5.147 5.341 5.348 5.585 5.555 5.562 5.775 5.778 5.951 5.913
1.30 4.741 4.949 4.958 5.213 5.183 5.193 5.419 5.423 5.605 5.566
1.40 4.344 4.564 4.573 4.846 4.815 4.826 5.068 5.074 5.268 5.228
1.50 3.965 4.191 4.202 4.487 4.454 4.467 4.722 4.729 4.936 4.895
1.60       4.140     4.384 4.392 4.609  
1.70       3.810     4.058 4.066 4.291  
1.80       3.502     3.749 3.757 3.985  
1.90       3.218     3.459 3.467 3.694  
2.00       2.960     3.192 3.199 3.421  

ElementNi2+Ni3+Cu1+Cu2+Zn2+Ga3+Ge4+Br1−Rb1+Sr2+
Z28282929303132353738
MethodRHFHFRHFHFRHFHFHFRHFRHFRHF
(sin [\theta])/λ (Å−1)                    
0.00 26.000 25.000 28.000 27.000 28.000 28.000 28.000 36.000 36.000 36.000
0.01 25.989 24.991 27.987 26.989 27.989 27.991 27.992 35.961 35.977 35.981
0.02 25.955 24.962 27.946 26.956 27.957 27.964 27.969 35.845 35.908 35.923
0.03 25.899 24.915 27.878 26.901 27.903 27.919 27.931 35.656 35.794 35.827
0.04 25.821 24.850 27.783 26.824 27.828 27.856 27.877 35.398 35.635 35.694
0.05 25.721 24.766 27.663 26.726 27.732 27.776 27.808 35.077 35.435 35.524
0.06 25.600 24.665 27.518 26.608 27.615 27.678 27.724 34.703 35.195 35.320
0.07 25.459 24.546 27.349 26.469 27.479 27.564 27.625 34.282 34.917 35.084
0.08 25.299 24.410 27.157 26.311 27.323 27.433 27.512 33.824 34.605 34.816
0.09 25.119 24.258 26.944 26.134 27.149 27.286 27.386 33.336 34.262 34.520
0.10 24.921 24.090 26.711 25.939 26.958 27.123 27.245 32.827 33.891 34.198
0.11 24.707 23.907 26.459 25.728 26.749 26.946 27.091 32.303 33.496 33.851
0.12 24.477 23.709 26.190 25.500 26.525 26.754 26.924 31.771 33.079 33.484
0.13 24.232 23.498 25.905 25.258 26.286 26.548 26.745 31.236 32.646 33.098
0.14 23.973 23.275 25.606 25.001 26.032 26.330 26.554 30.703 32.199 32.696
0.15 23.702 23.039 25.294 24.732 25.766 26.099 26.351 30.175 31.740 32.281
0.16 23.419 22.792 24.972 24.451 25.488 25.856 26.137 29.657 31.275 31.854
0.17 23.126 22.535 24.639 24.159 25.198 25.603 25.913 29.149 30.805 31.420
0.18 22.824 22.268 24.297 23.857 24.899 25.339 25.680 28.654 30.333 30.979
0.19 22.513 21.993 23.949 23.547 24.591 25.066 25.437 28.172 29.862 30.535
0.20 22.195 21.710 23.594 23.229 24.275 24.784 25.185 27.706 29.393 30.089
0.22 21.543 21.125 22.872 22.574 23.622 24.197 24.658 26.817 28.471 29.198
0.24 20.875 20.518 22.139 21.900 22.949 23.585 24.104 25.988 27.579 28.322
0.25 20.536 20.209 21.770 21.558 22.606 23.270 23.818 25.595 27.147 27.892
0.26 20.197 19.897 21.401 21.214 22.261 22.952 23.526 25.215 26.726 27.469
0.28 19.516 19.268 20.666 20.523 21.566 22.305 22.931 24.491 25.916 26.647
0.30 18.839 18.636 19.939 19.832 20.869 21.649 22.321 23.812 25.150 25.861
0.32 18.169 18.005 19.224 19.146 20.175 20.988 21.702 23.170 24.428 25.113
0.34 17.510 17.380 18.524 18.469 19.488 20.327 21.077 22.559 23.749 24.404
0.35 17.187 17.071 18.180 18.135 19.149 19.997 20.764 22.264 23.424 24.064
0.36 16.867 16.765 17.842 17.805 18.812 19.669 20.451 21.975 23.109 23.734
0.38 16.242 16.164 17.180 17.157 18.150 19.019 19.826 21.412 22.503 23.100
0.40 15.637 15.578 16.541 16.528 17.504 18.379 19.205 20.867 21.929 22.500
0.42 15.054 15.010 15.925 15.919 16.876 17.751 18.593 20.335 21.381 21.931
0.44 14.495 14.463 15.333 15.332 16.269 17.139 17.989 19.816 20.857 21.389
0.45 14.224 14.197 15.047 15.046 15.974 16.839 17.692 19.560 20.603 21.128
0.46 13.959 13.936 14.767 14.767 15.683 16.544 17.398 19.306 20.353 20.872
0.48 13.448 13.432 14.225 14.227 15.120 15.967 16.821 18.806 19.865 20.376
0.50 12.962 12.950 13.710 13.711 14.580 15.409 16.259 18.313 19.391 19.898
0.55 11.854 11.847 12.530 12.526 13.331 14.106 14.929 17.114 18.253 18.765
0.60 10.895 10.887 11.502 11.491 12.227 12.937 13.716 15.964 17.169 17.700
0.65 10.075 10.062 10.614 10.597 11.263 11.902 12.625 14.870 16.127 16.684
0.70 9.378 9.360 9.855 9.831 10.429 10.995 11.656 13.840 15.128 15.707
0.80 8.292 8.265 8.659 8.625 9.097 9.526 10.058 12.002 13.273 13.875
0.90 7.516 7.482 7.797 7.757 8.126 8.441 8.853 10.479 11.645 12.231
1.00 6.944 6.906 7.165 7.123 7.414 7.642 7.956 9.261 10.270 10.805
1.10 6.497 6.457 6.681 6.637 6.879 7.045 7.286 8.311 9.147 9.611
1.20 6.119 6.078 6.285 6.240 6.455 6.582 6.774 7.580 8.251 8.638
1.30 5.776 5.734 5.939 5.892 6.096 6.203 6.365 7.016 7.548 7.862
1.40 5.450 5.407 5.617 5.568 5.775 5.872 6.021 6.573 6.997 7.249
1.50 5.131 5.086 5.307 5.256 5.472 5.569 5.715 6.216 6.561 6.764
0.60 4.816   5.003   5.178     5.913 6.209 6.375
1.70 4.507   4.704   4.890     5.645 5.913 6.056
1.80 4.207   4.411   4.606     5.398 5.656 5.785
1.90 3.918   4.127   4.329     5.162 5.421 5.545
2.00 3.643   3.853   4.059     4.932 5.201 5.324

ElementY3+Zr4+Nb3+Nb5+Mo3+Mo5+Mo6+Ru3+Ru4+Rh3+
Z39404141424242444445
Method*DS*DS*DS*DS*DS*DS*DS*DS*DS*DS
(sin [\theta])/λ (Å−1)          
0.00 36.000 36.000 38.000 36.000 39.000 37.000 36.000 41.000 40.000 42.000
0.01 35.983 35.985 37.981 35.987 38.981 36.986 35.988 40.980 39.983 41.980
0.02 35.933 35.942 37.925 35.948 38.923 36.946 35.954 40.922 39.933 41.922
0.03 35.850 35.869 37.832 35.884 38.827 36.878 35.897 40.824 39.849 41.824
0.04 35.735 35.768 37.702 35.795 38.695 36.783 35.817 40.689 39.733 41.689
0.05 35.588 35.640 37.537 35.681 38.526 36.663 35.715 40.517 39.585 41.516
0.06 35.411 35.484 37.339 35.543 38.323 36.517 35.591 40.309 39.406 41.308
0.07 35.204 35.302 37.109 35.381 38.087 36.347 35.446 40.067 39.197 41.066
0.08 34.970 35.096 36.849 35.197 37.820 36.152 35.280 39.793 38.959 40.791
0.09 34.710 34.865 36.560 34.991 37.523 35.936 35.095 39.489 38.695 40.485
0.10 34.425 34.612 36.246 34.765 37.200 35.697 34.890 39.156 38.404 40.150
0.11 34.118 34.338 35.908 34.519 36.853 35.438 34.667 38.798 38.090 39.789
0.12 33.791 34.045 35.548 34.254 36.483 35.160 34.428 38.416 37.754 39.404
0.13 33.445 33.734 35.170 33.973 36.094 34.865 34.172 38.012 37.397 38.997
0.14 33.082 33.406 34.775 33.675 35.688 34.553 33.900 37.590 37.022 38.569
0.15 32.705 33.064 34.366 33.363 35.266 34.226 33.615 37.151 36.630 38.125
0.16 32.316 32.708 33.945 33.038 34.832 33.886 33.317 36.698 36.223 37.665
0.17 31.916 32.341 33.514 32.701 34.388 33.533 33.006 36.233 35.804 37.193
0.18 31.509 31.964 33.076 32.353 33.936 33.170 32.685 35.758 35.374 36.710
0.19 31.094 31.580 32.632 31.997 33.478 32.798 32.354 35.276 34.934 36.218
0.20 30.675 31.188 32.184 31.632 33.016 32.418 32.015 34.789 34.488 35.720
0.22 29.830 30.392 31.284 30.885 32.086 31.640 31.316 33.804 33.579 34.713
0.24 28.986 29.586 30.388 30.121 31.159 30.847 30.595 32.819 32.659 33.701
0.25 28.567 29.182 29.945 29.736 30.701 30.448 30.229 32.329 32.199 33.198
0.26 28.152 28.781 29.506 29.351 30.246 30.048 29.862 31.844 31.741 32.697
0.28 27.337 27.985 28.646 28.582 29.356 29.252 29.123 30.889 30.833 31.711
0.30 26.548 27.205 27.814 27.821 28.494 28.465 28.387 29.962 29.943 30.751
0.32 25.789 26.447 27.013 27.074 27.664 27.695 27.658 29.067 29.078 29.823
0.34 25.063 25.716 26.248 26.346 26.871 26.944 26.941 28.210 28.242 28.932
0.35 24.712 25.360 25.878 25.990 26.488 26.578 26.589 27.796 27.836 28.500
0.36 24.370 25.012 25.518 25.640 26.115 26.218 26.241 27.392 27.439 28.079
0.38 23.712 24.339 24.824 24.960 25.397 25.518 25.562 26.614 26.671 27.268
0.40 23.086 23.696 24.167 24.306 24.717 24.847 24.904 25.878 25.940 26.499
0.42 22.492 23.083 23.543 23.680 24.073 24.205 24.270 25.181 25.245 25.772
0.44 21.927 22.500 22.953 23.081 23.464 23.592 23.662 24.524 24.586 25.086
0.45 21.654 22.218 22.669 22.792 23.172 23.296 23.366 24.209 24.271 24.757
0.46 21.388 21.944 22.393 22.509 22.888 23.007 23.078 23.904 23.963 24.438
0.48 20.874 21.414 21.861 21.963 22.342 22.450 22.518 23.319 23.374 23.829
0.50 20.382 20.907 21.355 21.442 21.825 21.920 21.983 22.767 22.817 23.254
0.55 19.231 19.731 20.187 20.235 20.638 20.697 20.744 21.516 21.549 21.957
0.60 18.166 18.658 19.128 19.142 19.573 19.599 19.627 20.416 20.434 20.826
0.65 17.163 17.659 18.148 18.137 18.597 18.598 18.608 19.430 19.436 19.824
0.70 16.208 16.716 17.224 17.198 17.685 17.668 17.664 18.528 18.525 18.918
0.80 14.415 14.952 15.492 15.458 15.985 15.955 15.937 16.884 16.872 17.292
0.90 12.784 13.333 13.886 13.858 14.405 14.377 14.357 15.367 15.354 15.807
1.00 11.340 11.873 12.414 12.395 12.939 12.918 12.902 13.939 13.929 14.407
1.10 10.100 10.592 11.099 11.088 11.606 11.593 11.581 12.605 12.597 13.086
1.20 9.067 9.501 9.958 9.951 10.427 10.418 10.411 11.382 11.378 11.859
1.30 8.225 8.595 8.992 8.988 9.410 9.405 9.400 10.291 10.288 10.744
1.40 7.548 7.856 8.193 8.190 8.554 8.551 8.547 9.339 9.338 9.756
1.50 7.008 7.261 7.541 7.539 7.846 7.843 7.841 8.528 8.527 8.899
1.60 6.575 6.782 7.013 7.011 7.267 7.265 7.263 7.847 7.846 8.171
1.70 6.222 6.394 6.584 6.583 6.795 6.793 6.792 7.282 7.282 7.559
1.80 5.927 6.074 6.234 6.233 6.409 6.408 6.407 6.817 6.817 7.051
1.90 5.672 5.802 5.941 5.940 6.090 6.089 6.089 6.433 6.433 6.631
2.00 5.443 5.565 5.689 5.690 5.820 5.820 5.820 6.114 6.114 6.281

ElementRh4+Pd2+Pd4+Ag1+Ag2+Cd2+In3+Sn2+Sn4+Sb3+
Z45464647474849505051
Method*DS*DS*DS*DS*DS*DS*DSRHFRHF*DS
(sin [\theta])/λ (Å−1)          
0.00 41.000 44.000 42.000 46.000 45.000 46.000 46.000 48.000 46.000 48.000
0.01 40.983 43.977 41.983 45.974 44.978 45.978 45.981 47.975 45.984 47.978
0.02 40.932 43.909 41.932 45.894 44.911 45.912 45.924 47.898 45.934 47.911
0.03 40.848 43.796 41.847 45.764 44.799 45.802 45.829 47.771 45.852 47.801
0.04 40.730 43.640 41.729 45.582 44.645 45.650 45.697 47.596 45.737 47.647
0.05 40.581 43.441 41.579 45.353 44.448 45.456 45.529 47.373 45.590 47.452
0.06 40.400 43.201 41.396 45.076 44.211 45.222 45.325 47.106 45.411 47.218
0.07 40.188 42.923 41.184 44.757 43.936 44.950 45.087 46.797 45.203 46.945
0.08 39.948 42.608 40.942 44.397 43.624 44.641 44.816 46.449 44.964 46.636
0.09 39.680 42.258 40.671 43.999 43.277 44.298 44.513 46.066 44.698 46.293
0.10 39.385 41.877 40.375 43.567 42.898 43.923 44.181 45.650 44.404 45.920
0.11 39.067 41.467 40.053 43.105 42.490 43.517 43.821 45.206 44.084 45.517
0.12 38.725 41.031 39.708 42.616 42.056 43.085 43.435 44.736 43.739 45.089
0.13 38.363 40.572 39.341 42.103 41.597 42.628 43.024 44.244 43.371 44.638
0.14 37.981 40.092 38.955 41.570 41.117 42.148 42.591 43.733 42.981 44.167
0.15 37.582 39.595 38.551 41.020 40.618 41.649 42.138 43.206 42.572 43.677
0.16 37.168 39.083 38.131 40.457 40.103 41.134 41.667 42.667 42.143 43.172
0.17 36.740 38.558 37.696 39.883 39.575 40.603 41.180 42.117 41.698 42.655
0.18 36.301 38.024 37.249 39.301 39.036 40.061 40.678 41.560 41.237 42.127
0.19 35.852 37.483 36.792 38.713 38.489 39.509 40.165 40.998 40.763 41.590
0.20 35.395 36.936 36.326 38.122 37.935 38.949 39.641 40.431 40.276 41.047
0.22 34.463 35.836 35.374 36.940 36.817 37.816 38.570 39.296 39.274 39.950
0.24 33.518 34.739 34.406 35.768 35.697 36.677 37.481 38.164 38.242 38.847
0.25 33.045 34.195 33.921 35.191 35.141 36.110 36.933 37.604 37.718 38.298
0.26 32.572 33.657 33.435 34.620 34.589 35.545 36.385 37.047 37.192 37.750
0.28 31.635 32.601 32.471 33.503 33.502 34.431 35.295 35.950 36.135 36.668
0.30 30.715 31.577 31.521 32.424 32.445 33.344 34.220 34.878 35.082 35.605
0.32 29.819 30.592 30.594 31.389 31.425 32.291 33.167 33.836 34.041 34.569
0.34 28.951 29.649 29.695 30.400 30.446 31.276 32.145 32.826 33.019 33.561
0.35 28.530 29.194 29.257 29.924 29.973 30.785 31.647 32.333 32.517 33.069
0.36 28.117 28.751 28.828 29.460 29.511 30.305 31.158 31.850 32.023 32.585
0.38 27.318 27.899 27.998 28.569 28.622 29.379 30.209 30.910 31.057 31.643
0.40 26.557 27.093 27.204 27.727 27.780 28.500 29.302 30.008 30.127 30.737
0.42 25.833 26.333 26.450 26.933 26.984 27.667 28.438 29.144 29.235 29.866
0.44 25.148 25.617 25.735 26.186 26.233 26.881 27.618 28.318 28.383 29.031
0.45 24.819 25.275 25.391 25.829 25.874 26.505 27.224 27.920 27.972 28.628
0.46 24.499 24.944 25.057 25.484 25.527 26.140 26.842 27.532 27.571 28.234
0.48 23.886 24.311 24.418 24.825 24.863 25.443 26.109 26.785 26.802 27.472
0.50 23.307 23.716 23.814 24.206 24.239 24.788 25.418 26.075 26.074 26.747
0.55 21.995 22.378 22.450 22.817 22.839 23.319 23.865 24.464 24.430 25.088
0.60 20.850 21.221 21.267 21.623 21.635 22.061 22.533 23.067 23.019 23.634
0.65 19.835 20.205 20.228 20.583 20.588 20.974 21.389 21.859 21.810 22.367
0.70 18.919 19.295 19.300 19.660 19.660 20.021 20.394 20.810 20.767 21.261
0.80 17.282 17.683 17.668 18.051 18.046 18.392 18.724 19.074 19.052 19.433
0.90 15.795 16.229 16.208 16.622 16.616 16.979 17.315 17.649 17.646 17.957
1.00 14.396 14.859 14.840 15.284 15.278 15.673 16.034 16.386 16.395 16.684
1.10 13.078 13.557 13.542 14.006 14.002 14.425 14.818 15.203 15.215 15.516
1.20 11.853 12.331 12.321 12.790 12.788 13.230 13.649 14.063 14.074 14.403
1.30 10.740 11.201 11.194 11.654 11.653 12.099 12.530 12.962 12.970 13.329
1.40 9.754 10.183 10.180 10.616 10.616 11.050 11.479 11.913 11.917 12.300
1.50 8.898 9.288 9.286 9.688 9.688 10.098 10.510 10.932 10.933 11.326
1.60 8.170 8.514 8.513 8.875 8.876 9.251 9.637 10.033 10.033 10.422
1.70 7.559 7.858 7.857 8.176 8.176 8.513 8.864 9.227 9.225 9.599
1.80 7.051 7.307 7.306 7.582 7.582 7.878 8.191 8.515 8.513 8.863
1.90 6.630 6.847 6.847 7.083 7.083 7.339 7.613 7.897 7.896 8.215
2.00 6.281 6.464 6.464 6.665 6.665 6.884 7.122 7.367 7.366 7.652

ElementSb5+I1−Cs1+Ba2+La3+Ce3+Ce4+Pr3+Pr4+Nd3+
Z51535556575858595960
Method*DSRHFRHF*DS*DS*DS*DS*DS*DS*DS
(sin [\theta])/λ (Å−1)          
0.00 46.000 54.000 54.000 54.000 54.000 55.000 54.000 56.000 55.000 57.000
0.01 45.985 53.943 53.963 53.967 53.971 54.972 53.974 55.972 54.975 56.972
0.02 45.940 53.772 53.850 53.869 53.885 54.886 53.897 55.888 54.898 56.889
0.03 45.865 53.493 53.665 53.708 53.742 54.745 53.769 55.748 54.772 56.752
0.04 45.760 53.114 53.408 53.484 53.544 54.549 53.592 55.555 54.597 56.561
0.05 45.627 52.646 53.084 53.200 53.293 54.300 53.366 55.309 54.373 56.318
0.06 45.464 52.101 52.698 52.861 52.991 54.001 53.094 55.013 54.104 56.026
0.07 45.274 51.492 52.254 52.468 52.640 53.654 52.778 54.669 53.791 55.686
0.08 45.057 50.834 51.758 52.027 52.245 53.261 52.420 54.280 53.436 55.302
0.09 44.813 50.136 51.217 51.543 51.808 52.827 52.022 53.850 53.042 54.876
0.10 44.544 49.413 50.635 51.018 51.332 52.355 51.589 53.381 52.612 54.411
0.11 44.251 48.672 50.020 50.460 50.823 51.848 51.122 52.878 52.148 53.911
0.12 43.935 47.924 49.377 49.872 50.284 51.310 50.625 52.343 51.654 53.380
0.13 43.596 47.175 48.714 49.259 49.718 50.745 50.102 51.781 51.133 52.821
0.14 43.237 46.432 48.035 48.627 49.130 50.158 49.555 51.195 50.588 52.237
0.15 42.859 45.698 47.345 47.980 48.524 49.551 48.988 50.589 50.022 51.632
0.16 42.462 44.978 46.651 47.322 47.903 48.928 48.404 49.966 49.439 51.010
0.17 42.049 44.273 45.955 46.657 47.272 48.294 47.807 49.331 48.841 50.374
0.18 41.621 43.585 45.262 45.989 46.633 47.651 47.199 48.686 48.231 49.727
0.19 41.178 42.916 44.575 45.321 45.989 47.002 46.583 48.034 47.613 49.073
0.20 40.723 42.265 43.897 44.657 45.344 46.351 45.963 47.378 46.989 48.414
0.22 39.781 41.019 42.577 43.348 44.061 45.052 44.718 46.066 45.733 47.091
0.24 38.806 39.841 41.312 42.077 42.801 43.771 43.481 44.767 44.481 45.778
0.25 38.309 39.276 40.703 41.459 42.183 43.142 42.871 44.128 43.861 45.129
0.26 37.807 38.726 40.110 40.855 41.576 42.522 42.268 43.497 43.248 44.489
0.28 36.796 37.665 38.971 39.688 40.396 41.315 41.088 42.266 42.046 43.235
0.30 35.780 36.650 37.893 38.579 39.267 40.157 39.950 41.080 40.882 42.025
0.32 34.770 35.676 36.872 37.525 38.190 39.050 38.859 39.945 39.763 40.863
0.34 33.771 34.735 35.902 36.525 37.166 37.996 37.817 38.860 38.692 39.750
0.35 33.278 34.276 35.434 36.043 36.673 37.488 37.314 38.337 38.174 39.213
0.36 32.790 33.824 34.977 35.574 36.192 36.992 36.823 37.826 37.669 38.688
0.38 31.834 32.941 34.091 34.668 35.266 36.037 35.877 36.842 36.693 37.675
0.40 30.905 32.082 33.240 33.802 34.384 35.127 34.977 35.903 35.763 36.708
0.42 30.009 31.248 32.419 32.972 33.541 34.258 34.118 35.007 34.876 35.785
0.44 29.146 30.437 31.625 32.173 32.734 33.427 33.298 34.150 34.028 34.903
0.45 28.729 30.040 31.238 31.785 32.342 33.025 32.901 33.736 33.619 34.476
0.46 28.321 29.650 30.856 31.403 31.959 32.630 32.513 33.329 33.218 34.057
0.48 27.532 28.887 30.110 30.659 31.212 31.863 31.759 32.541 32.440 33.246
0.50 26.782 28.149 29.385 29.939 30.492 31.124 31.034 31.782 31.693 32.465
0.55 25.073 26.418 27.664 28.231 28.789 29.382 29.329 29.996 29.939 30.631
0.60 23.590 24.855 26.074 26.649 27.211 27.771 27.753 28.348 28.323 28.943
0.65 22.310 23.460 24.620 25.189 25.748 26.278 26.290 26.822 26.826 27.380
0.70 21.205 22.227 23.303 23.854 24.398 24.899 24.933 25.411 25.437 25.936
0.80 19.397 20.191 21.071 21.555 22.039 22.479 22.532 22.927 22.976 23.387
0.90 17.947 18.598 19.309 19.709 20.117 20.495 20.543 20.881 20.927 21.275
1.00 16.690 17.292 17.900 18.227 18.568 18.892 18.926 19.222 19.256 19.559
1.10 15.529 16.150 16.721 17.003 17.299 17.585 17.605 17.874 17.895 18.166
1.20 14.416 15.091 15.676 15.941 16.218 16.485 16.495 16.749 16.760 17.012
1.30 13.339 14.072 14.701 14.970 15.249 15.513 15.519 15.769 15.775 16.020
1.40 12.305 13.082 13.760 14.048 14.341 14.614 14.620 14.875 14.880 15.126
1.50 11.328 12.126 12.844 13.154 13.467 13.754 13.763 14.027 14.034 14.288
1.60 10.422 11.214 11.956 12.285 12.616 12.919 12.931 13.207 13.217 13.481
1.70 9.597 10.360 11.104 11.447 11.791 12.105 12.120 12.407 12.419 12.695
1.80 8.860 9.577 10.302 10.649 10.997 11.319 11.335 11.629 11.644 11.928
1.90 8.213 8.868 9.559 9.902 10.246 10.568 10.585 10.881 10.897 11.186
2.00 7.650 8.239 8.882 9.213 9.545 9.860 9.877 10.171 10.187 10.476

ElementPm3+Sm3+Eu2+Eu3+Gd3+Tb3+Dy3+Ho3+Er3+Tm3+
Z61626363646566676869
Method*DS*DS*DS*DS*DS*DS*DS*DS*DS*DS
(sin [\theta])/λ (Å−1)          
0.00 58.000 59.000 61.000 60.000 61.000 62.000 63.000 64.000 65.000 66.000
0.01 57.973 58.973 60.970 59.973 60.974 61.974 62.975 63.975 64.975 65.976
0.02 57.891 58.892 60.881 59.894 60.895 61.896 62.898 63.900 64.901 65.903
0.03 57.755 58.759 60.732 59.762 60.765 61.767 62.772 63.775 64.779 65.782
0.04 57.567 58.573 60.527 59.579 60.585 61.588 62.596 63.602 64.608 65.613
0.05 57.328 58.337 60.266 59.347 60.355 61.360 62.373 63.382 64.391 65.399
0.06 57.039 58.052 59.952 59.066 60.077 61.086 62.102 63.115 64.128 65.139
0.07 56.704 57.721 59.587 58.739 59.754 60.766 61.787 62.804 63.821 64.836
0.08 56.324 57.345 59.175 58.368 59.387 60.403 61.429 62.451 63.472 64.491
0.09 55.902 56.929 58.718 57.956 58.980 60.000 61.031 62.058 63.083 64.107
0.10 55.442 56.473 58.222 57.505 58.534 59.559 60.595 61.626 62.657 63.685
0.11 54.947 55.982 57.688 57.019 58.053 59.082 60.124 61.160 62.195 63.228
0.12 54.420 55.460 57.122 56.501 57.539 58.574 59.620 60.660 61.701 62.739
0.13 53.864 54.908 56.527 55.954 56.996 58.036 59.086 60.131 61.176 62.219
0.14 53.284 54.330 55.906 55.380 56.427 57.471 58.525 59.574 60.624 61.671
0.15 52.681 53.731 55.264 54.784 55.834 56.883 57.940 58.993 60.047 61.099
0.16 52.061 53.112 54.604 54.168 55.222 56.274 57.334 58.391 59.448 60.504
0.17 51.425 52.478 53.930 53.536 54.592 55.647 56.710 57.769 58.830 59.889
0.18 50.778 51.831 53.245 52.890 53.948 55.006 56.070 57.132 58.196 59.258
0.19 50.122 51.175 52.552 52.234 53.292 54.353 55.417 56.481 57.547 58.611
0.20 49.461 50.512 51.854 51.570 52.628 53.689 54.754 55.819 56.886 57.953
0.22 48.130 49.175 50.454 50.228 51.283 52.344 53.407 54.471 55.540 56.608
0.24 46.804 47.839 49.062 48.884 49.933 50.989 52.046 53.107 54.174 55.241
0.25 46.148 47.176 48.374 48.216 49.260 50.312 51.366 52.424 53.489 54.554
0.26 45.499 46.519 47.694 47.553 48.591 49.639 50.688 51.742 52.804 53.866
0.28 44.226 45.228 46.361 46.246 47.270 48.306 49.344 50.389 51.442 52.498
0.30 42.993 43.975 45.069 44.973 45.980 47.001 48.025 49.057 50.099 51.145
0.32 41.805 42.764 43.825 43.741 44.728 45.731 46.738 47.755 48.783 49.817
0.34 40.666 41.600 42.629 42.553 43.519 44.501 45.489 46.489 47.501 48.520
0.35 40.115 41.036 42.050 41.977 42.931 43.902 44.880 45.871 46.874 47.884
0.36 39.576 40.484 41.484 41.412 42.354 43.314 44.282 45.263 46.256 47.258
0.38 38.534 39.416 40.387 40.319 41.236 42.172 43.118 44.078 45.052 46.035
0.40 37.540 38.395 39.338 39.271 40.163 41.075 41.998 42.936 43.889 44.853
0.42 36.590 37.418 38.333 38.268 39.135 40.021 40.921 41.837 42.768 43.711
0.44 35.681 36.483 37.371 37.307 38.149 39.010 39.887 40.780 41.689 42.611
0.45 35.241 36.031 36.904 36.842 37.671 38.520 39.385 40.267 41.164 42.075
0.46 34.810 35.587 36.447 36.386 37.203 38.040 38.893 39.764 40.649 41.550
0.48 33.975 34.728 35.560 35.503 36.295 37.108 37.938 38.786 39.649 40.527
0.50 33.172 33.902 34.707 34.653 35.423 36.212 37.019 37.844 38.685 39.542
0.55 31.287 31.965 32.702 32.663 33.379 34.113 34.866 35.637 36.424 37.228
0.60 29.555 30.188 30.861 30.838 31.506 32.191 32.894 33.615 34.352 35.106
0.65 27.955 28.547 29.160 29.155 29.779 30.420 31.078 31.753 32.444 33.151
0.70 26.475 27.029 27.589 27.599 28.183 28.784 29.400 30.032 30.680 31.344
0.80 23.858 24.342 24.811 24.840 25.351 25.876 26.416 26.970 27.540 28.123
0.90 21.681 22.098 22.494 22.528 22.969 23.424 23.892 24.374 24.870 25.380
1.00 19.905 20.260 20.599 20.626 21.003 21.392 21.793 22.207 22.634 23.074
1.10 18.464 18.768 19.061 19.080 19.400 19.730 20.072 20.424 20.787 21.163
1.20 17.277 17.544 17.805 17.815 18.092 18.373 18.666 18.966 19.276 19.595
1.30 16.267 16.512 16.753 16.758 17.004 17.252 17.508 17.768 18.035 18.309
1.40 15.370 15.607 15.839 15.840 16.071 16.298 16.531 16.764 17.000 17.241
1.50 14.538 14.778 15.010 15.011 15.237 15.457 15.678 15.896 16.114 16.332
1.60 13.743 13.993 14.231 14.233 14.463 14.685 14.904 15.118 15.327 15.534
1.70 12.970 13.232 13.480 13.483 13.724 13.953 14.178 14.394 14.604 14.809
1.80 12.215 12.490 12.748 12.753 13.005 13.245 13.479 13.703 13.919 14.127
1.90 11.481 11.765 12.032 12.039 12.302 12.554 12.798 13.032 13.257 13.473
2.00 10.774 11.063 11.336 11.344 11.616 11.878 12.132 12.376 12.610 12.836

ElementYb2+Yb3+Lu3+Hf4+Ta5+W6+Os4+Ir3+Ir4+Pt2+
Z70707172737476777778
Method*DS*DS*DS*DS*DS*DS*DS*DS*DS*DS
(sin [\theta])/λ (Å−1)          
0.00 68.000 67.000 68.000 68.000 68.000 68.000 72.000 74.000 73.000 76.000
0.01 67.973 66.976 67.976 67.979 67.981 67.982 71.976 73.972 72.975 75.968
0.02 67.892 66.904 67.905 67.915 67.922 67.929 71.904 73.889 72.902 75.874
0.03 67.759 66.785 67.788 67.809 67.826 67.840 71.784 73.752 72.780 75.717
0.04 67.573 66.619 67.624 67.661 67.691 67.716 71.617 73.561 72.611 75.499
0.05 67.337 66.407 67.415 67.472 67.519 67.557 71.404 73.318 72.395 75.222
0.06 67.051 66.151 67.161 67.243 67.309 67.365 71.147 73.024 72.133 74.889
0.07 66.719 65.851 66.866 66.976 67.065 67.139 70.847 72.682 71.828 74.502
0.08 66.342 65.511 66.529 66.670 66.785 66.881 70.506 72.294 71.481 74.065
0.09 65.922 65.131 66.154 66.329 66.471 66.592 70.125 71.863 71.094 73.580
0.10 65.464 64.714 65.741 65.953 66.126 66.272 69.707 71.392 70.669 73.052
0.11 64.968 64.262 65.294 65.544 65.749 65.923 69.254 70.883 70.208 72.485
0.12 64.439 63.777 64.814 65.103 65.343 65.546 68.769 70.339 69.715 71.881
0.13 63.879 63.262 64.303 64.634 64.908 65.142 68.253 69.764 69.190 71.245
0.14 63.292 62.719 63.765 64.138 64.448 64.713 67.711 69.162 68.638 70.582
0.15 62.679 62.151 63.201 63.616 63.963 64.260 67.143 68.534 68.060 69.894
0.16 62.046 61.561 62.615 63.071 63.455 63.785 66.552 67.884 67.460 69.185
0.17 61.393 60.950 62.008 62.505 62.926 63.290 65.942 67.215 66.839 68.459
0.18 60.724 60.321 61.383 61.921 62.378 62.775 65.313 66.530 66.200 67.719
0.19 60.043 59.678 60.742 61.319 61.812 62.242 64.670 65.832 65.546 66.968
0.20 59.350 59.022 60.088 60.703 61.231 61.693 64.014 65.123 64.879 66.210
0.22 57.943 57.679 58.749 59.433 60.028 60.553 62.671 63.684 63.515 64.679
0.24 56.521 56.312 57.382 58.127 58.783 59.367 61.302 62.228 62.124 63.144
0.25 55.809 55.624 56.693 57.465 58.149 58.760 60.612 61.500 61.423 62.381
0.26 55.098 54.935 56.002 56.799 57.509 58.146 59.920 60.773 60.721 61.621
0.28 53.687 53.560 54.622 55.460 56.216 56.901 58.537 59.328 59.319 60.121
0.30 52.297 52.198 53.253 54.123 54.917 55.643 57.164 57.905 57.927 58.652
0.32 50.937 50.858 51.903 52.796 53.620 54.381 55.809 56.510 56.555 57.220
0.34 49.611 49.548 50.580 51.487 52.334 53.122 54.478 55.148 55.209 55.830
0.35 48.962 48.904 49.930 50.842 51.696 52.496 53.823 54.481 54.548 55.151
0.36 48.323 48.270 49.288 50.203 51.064 51.873 53.175 53.823 53.894 54.483
0.38 47.076 47.030 48.032 48.947 49.817 50.641 51.906 52.538 52.613 53.182
0.40 45.871 45.828 46.813 47.723 48.597 49.430 50.671 51.293 51.369 51.925
0.42 44.707 44.667 45.633 46.534 47.406 48.244 49.473 50.089 50.163 50.714
0.44 43.585 43.545 44.491 45.381 46.247 47.086 48.312 48.926 48.995 49.545
0.45 43.038 42.999 43.935 44.818 45.681 46.518 47.745 48.359 48.425 48.977
0.46 42.502 42.463 43.389 44.265 45.122 45.957 47.187 47.802 47.865 48.419
0.48 41.458 41.419 42.325 43.184 44.031 44.860 46.099 46.717 46.773 47.333
0.50 40.450 40.412 41.297 42.140 42.974 43.795 45.046 45.668 45.717 46.286
0.55 38.080 38.046 38.880 39.680 40.479 41.271 42.562 43.197 43.227 43.820
0.60 35.901 35.874 36.658 37.419 38.181 38.942 40.270 40.918 40.932 41.549
0.65 33.890 33.873 34.610 35.335 36.064 36.793 38.147 38.805 38.807 39.443
0.70 32.029 32.022 32.716 33.409 34.106 34.806 36.172 36.835 36.830 37.479
0.80 28.709 28.722 29.335 29.970 30.612 31.258 32.602 33.261 33.249 33.905
0.90 25.880 25.904 26.442 27.018 27.605 28.199 29.471 30.104 30.094 30.732
1.00 23.501 23.527 23.994 24.506 25.033 25.572 26.734 27.324 27.317 27.918
1.10 21.528 21.551 21.952 22.396 22.858 23.336 24.368 24.902 24.898 25.447
1.20 19.908 19.926 20.267 20.645 21.042 21.456 22.350 22.821 22.820 23.307
1.30 18.580 18.591 18.883 19.202 19.538 19.890 20.652 21.057 21.058 21.481
1.40 17.480 17.486 17.738 18.009 18.293 18.592 19.234 19.579 19.581 19.942
1.50 16.550 16.553 16.777 17.011 17.255 17.510 18.054 18.347 18.348 18.654
1.60 15.740 15.741 15.947 16.158 16.374 16.597 17.066 17.315 17.317 17.578
1.70 15.009 15.010 15.208 15.406 15.605 15.808 16.225 16.443 16.444 16.670
1.80 14.330 14.330 14.528 14.722 14.914 15.106 15.493 15.691 15.691 15.893
1.90 13.681 13.682 13.884 14.081 14.274 14.463 14.838 15.024 15.024 15.211
2.00 13.051 13.053 13.263 13.467 13.666 13.858 14.234 14.417 14.416 14.597

ElementPt4+Au1+Au3+Hg1+Hg2+Tl1+Tl3+Pb2+Pb4+Bi3+
Z78797980808181828283
Method*DS*DS*DS*DS*DS*DS*DS*DS*DS*DS
(sin [\theta])/λ (Å−1)          
0.00 74.000 78.000 76.000 79.000 78.000 80.000 78.000 80.000 78.000 80.000
0.01 73.975 77.964 75.972 78.962 77.968 79.961 77.975 79.966 77.975 79.969
0.02 73.901 77.855 75.888 78.850 77.875 79.845 77.891 79.864 77.899 79.878
0.03 73.778 77.676 75.750 78.664 77.719 79.653 77.753 79.695 77.774 79.727
0.04 73.606 77.428 75.557 78.406 77.503 79.388 77.560 79.461 77.599 79.516
0.05 73.387 77.113 75.311 78.080 77.229 79.052 77.314 79.164 77.376 79.249
0.06 73.123 76.736 75.015 77.689 76.897 78.650 77.017 78.807 77.106 78.926
0.07 72.814 76.299 74.669 77.238 76.512 78.186 76.670 78.392 76.790 78.550
0.08 72.462 75.807 74.276 76.731 76.076 77.665 76.276 77.924 76.430 78.124
0.09 72.070 75.264 73.839 76.173 75.591 77.093 75.836 77.406 76.028 77.651
0.10 71.639 74.676 73.361 75.570 75.062 76.474 75.355 76.843 75.586 77.134
0.11 71.173 74.046 72.843 74.925 74.492 75.814 74.833 76.238 75.106 76.577
0.12 70.673 73.380 72.290 74.245 73.884 75.119 74.275 75.597 74.590 75.983
0.13 70.141 72.683 71.705 73.535 73.243 74.394 73.683 74.922 74.041 75.355
0.14 69.581 71.958 71.089 72.798 72.571 73.644 73.060 74.220 73.461 74.698
0.15 68.995 71.211 70.448 72.041 71.874 72.873 72.409 73.493 72.853 74.014
0.16 68.386 70.446 69.783 71.266 71.153 72.085 71.733 72.745 72.220 73.308
0.17 67.756 69.665 69.097 70.477 70.413 71.286 71.035 71.981 71.563 72.581
0.18 67.107 68.874 68.395 69.679 69.658 70.477 70.319 71.204 70.885 71.839
0.19 66.443 68.075 67.678 68.874 68.889 69.663 69.586 70.417 70.190 71.083
0.20 65.766 67.271 66.949 68.065 68.111 68.847 68.841 69.623 69.479 70.317
0.22 64.380 65.658 65.466 66.445 66.536 67.214 67.320 68.023 68.020 68.764
0.24 62.968 64.054 63.965 64.836 64.952 65.597 65.776 66.425 66.527 67.199
0.25 62.256 63.260 63.213 64.040 64.162 64.797 65.001 65.631 65.772 66.416
0.26 61.543 62.472 62.462 63.251 63.376 64.005 64.226 64.841 65.015 65.636
0.28 60.119 60.923 60.969 61.698 61.821 62.448 62.685 63.284 63.501 64.090
0.30 58.707 59.413 59.499 60.184 60.296 60.931 61.163 61.759 61.995 62.569
0.32 57.315 57.947 58.058 58.714 58.810 59.458 59.670 60.275 60.509 61.081
0.34 55.951 56.529 56.653 57.290 57.367 58.031 58.214 58.833 59.052 59.631
0.35 55.281 55.839 55.965 56.596 56.663 57.335 57.502 58.128 58.336 58.922
0.36 54.619 55.161 55.288 55.914 55.972 56.651 56.800 57.436 57.629 58.223
0.38 53.323 53.841 53.967 54.586 54.625 55.318 55.432 56.085 56.247 56.858
0.40 52.065 52.571 52.689 53.306 53.327 54.032 54.110 54.781 54.908 55.538
0.42 50.847 51.348 51.457 52.073 52.079 52.792 52.837 53.523 53.614 54.263
0.44 49.669 50.172 50.269 50.885 50.879 51.596 51.613 52.309 52.367 53.033
0.45 49.095 49.600 49.691 50.308 50.296 51.015 51.018 51.719 51.762 52.435
0.46 48.531 49.040 49.124 49.742 49.725 50.444 50.435 51.140 51.167 51.847
0.48 47.431 47.950 48.021 48.640 48.615 49.332 49.304 50.013 50.014 50.704
0.50 46.370 46.899 46.958 47.578 47.548 48.261 48.217 48.927 48.905 49.602
0.55 43.871 44.432 44.464 45.085 45.050 45.742 45.677 46.377 46.318 47.018
0.60 41.573 42.163 42.175 42.795 42.764 43.429 43.364 44.040 43.969 44.653
0.65 39.447 40.062 40.060 40.679 40.656 41.294 41.241 41.888 41.822 42.481
0.70 37.470 38.103 38.093 38.709 38.696 39.311 39.275 39.895 39.844 40.473
0.80 33.885 34.534 34.518 35.131 35.133 35.718 35.714 36.293 36.278 36.857
0.90 30.713 31.352 31.338 31.944 31.952 32.523 32.538 33.096 33.108 33.657
1.00 27.905 28.513 28.504 29.090 29.100 29.659 29.679 30.227 30.249 30.784
1.10 25.440 26.000 25.996 26.549 26.557 27.097 27.114 27.648 27.669 28.194
1.20 23.305 23.807 23.806 24.315 24.319 24.828 24.839 25.349 25.364 25.871
1.30 21.482 21.921 21.923 22.378 22.379 22.846 22.850 23.325 23.332 23.811
1.40 19.945 20.322 20.325 20.723 20.722 21.139 21.138 21.568 21.568 22.009
1.50 18.658 18.978 18.981 19.324 19.322 19.686 19.682 20.062 20.058 20.453
1.60 17.580 17.853 17.856 18.148 18.146 18.460 18.454 18.784 18.778 19.124
1.70 16.672 16.907 16.909 17.160 17.157 17.426 17.420 17.705 17.697 17.997
1.80 15.894 16.101 16.102 16.320 16.319 16.550 16.546 16.790 16.784 17.043
1.90 15.211 15.401 15.401 15.597 15.596 15.800 15.797 16.010 16.005 16.229
2.00 14.596 14.777 14.777 14.958 14.958 15.143 15.141 15.332 15.329 15.527

ElementBi5+Ra2+Ac3+Th4+U3+U4+U6+Np3+Np4+Np6+
Z83888990929292939393
Method*DS*DS*DS*DS*DS*DS*DS*DS*DS*DS
(sin [\theta])/λ (Å−1)          
0.00 78.000 86.000 86.000 86.000 89.000 88.000 86.000 90.000 89.000 87.000
0.01 77.977 85.957 85.961 85.965 88.961 87.965 85.970 89.962 88.965 86.970
0.02 77.908 85.829 85.846 85.860 88.846 87.860 85.881 89.847 88.860 86.881
0.03 77.793 85.616 85.655 85.686 88.654 87.686 85.733 89.657 88.687 86.733
0.04 77.633 85.323 85.390 85.444 88.389 87.444 85.527 89.393 88.446 86.527
0.05 77.428 84.951 85.054 85.137 88.051 87.137 85.264 89.058 88.140 86.265
0.06 77.180 84.506 84.651 84.767 87.646 86.766 84.947 88.654 87.770 85.947
0.07 76.889 83.993 84.183 84.337 87.175 86.335 84.577 88.185 87.340 85.577
0.08 76.558 83.417 83.656 83.851 86.643 85.847 84.157 87.656 86.853 85.157
0.09 76.187 82.783 83.074 83.313 86.054 85.305 83.689 87.069 86.312 84.688
0.10 75.778 82.099 82.441 82.725 85.414 84.714 83.176 86.430 85.721 84.174
0.11 75.333 81.371 81.765 82.094 84.727 84.077 82.622 85.744 85.084 83.618
0.12 74.854 80.605 81.048 81.423 83.998 83.399 82.029 85.015 84.405 83.023
0.13 74.342 79.808 80.298 80.717 83.233 82.685 81.401 84.249 83.688 82.392
0.14 73.800 78.985 79.519 79.981 82.436 81.938 80.741 83.449 82.939 81.729
0.15 73.231 78.142 78.716 79.218 81.612 81.163 80.052 82.623 82.160 81.036
0.16 72.635 77.285 77.895 78.433 80.766 80.364 79.339 81.773 81.357 80.318
0.17 72.016 76.418 77.059 77.631 79.903 79.546 78.605 80.904 80.533 79.578
0.18 71.376 75.546 76.213 76.815 79.027 78.712 77.852 80.021 79.693 78.818
0.19 70.716 74.673 75.362 75.990 78.142 77.866 77.084 79.129 78.840 78.043
0.20 70.039 73.803 74.508 75.158 77.253 77.013 76.305 78.230 77.977 77.255
0.22 68.643 72.080 72.805 73.488 75.471 75.294 74.722 76.426 76.237 75.652
0.24 67.204 70.396 71.125 71.827 73.705 73.578 73.125 74.634 74.497 74.032
0.25 66.474 69.572 70.300 71.006 72.834 72.727 72.327 73.748 73.634 73.221
0.26 65.739 68.762 69.485 70.193 71.972 71.884 71.532 72.872 72.776 72.413
0.28 64.260 67.184 67.893 68.598 70.286 70.227 69.957 71.154 71.089 70.810
0.30 62.781 65.663 66.355 67.050 68.654 68.616 68.413 69.489 69.447 69.236
0.32 61.312 64.200 64.873 65.554 67.081 67.057 66.908 67.882 67.856 67.701
0.34 59.863 62.791 63.446 64.112 65.569 65.555 65.448 66.337 66.322 66.209
0.35 59.149 62.105 62.753 63.410 64.835 64.825 64.736 65.587 65.576 65.482
0.36 58.442 61.432 62.072 62.722 64.117 64.109 64.036 64.853 64.845 64.767
0.38 57.055 60.120 60.748 61.384 62.723 62.720 62.672 63.429 63.426 63.374
0.40 55.706 58.850 59.470 60.094 61.383 61.384 61.357 62.062 62.063 62.032
0.42 54.398 57.619 58.235 58.850 60.095 60.099 60.090 60.749 60.753 60.739
0.44 53.134 56.424 57.037 57.646 58.854 58.861 58.867 59.487 59.492 59.493
0.45 52.518 55.839 56.452 57.059 58.251 58.259 58.271 58.873 58.880 58.887
0.46 51.914 55.262 55.875 56.481 57.657 57.667 57.686 58.271 58.279 58.292
0.48 50.740 54.130 54.746 55.350 56.501 56.513 56.544 57.097 57.108 57.133
0.50 49.611 53.028 53.647 54.252 55.381 55.397 55.439 55.964 55.978 56.013
0.55 46.974 50.396 51.023 51.633 52.725 52.749 52.815 53.283 53.305 53.363
0.60 44.584 47.932 48.561 49.176 50.251 50.282 50.364 50.795 50.823 50.898
0.65 42.407 45.632 46.255 46.869 47.938 47.972 48.062 48.474 48.507 48.591
0.70 40.409 43.490 44.100 44.706 45.774 45.807 45.895 46.306 46.338 46.423
0.80 36.830 39.649 40.220 40.794 41.860 41.882 41.942 42.384 42.408 42.472
0.90 33.663 36.318 36.851 37.387 38.443 38.449 38.468 38.958 38.966 38.992
1.00 30.807 33.389 33.896 34.402 35.443 35.435 35.419 35.948 35.943 35.933
1.10 28.219 30.771 31.264 31.753 32.776 32.762 32.724 33.272 33.259 33.227
1.20 25.890 28.404 28.890 29.370 30.373 30.357 30.314 30.861 30.846 30.805
1.30 23.821 26.256 26.734 27.206 28.184 28.170 28.132 28.665 28.651 28.612
1.40 22.011 24.314 24.777 25.238 26.183 26.173 26.146 26.652 26.642 26.612
1.50 20.449 22.574 23.015 23.456 24.357 24.352 24.335 24.810 24.803 24.784
1.60 19.117 21.033 21.443 21.858 22.703 22.701 22.695 23.133 23.130 23.121
1.70 17.989 19.685 20.058 20.439 21.219 21.220 21.221 21.621 21.621 21.620
1.80 17.035 18.516 18.849 19.194 19.902 19.904 19.910 20.272 20.274 20.278
1.90 16.223 17.510 17.804 18.111 18.745 18.748 18.756 19.080 19.083 19.090
2.00 15.523 16.646 16.904 17.174 17.736 17.740 17.748 18.036 18.039 18.047

ElementPu3+Pu4+Pu6+
Z949494
Method*DS*DS*DS
(sin [\theta])/λ (Å−1)   
0.00 91.000 90.000 88.000
0.01 90.962 89.965 87.970
0.02 90.848 89.861 87.881
0.03 90.660 89.689 87.734
0.04 90.398 89.450 87.528
0.05 90.066 89.145 87.267
0.06 89.665 88.777 86.950
0.07 89.199 88.349 86.580
0.08 88.673 87.863 86.160
0.09 88.089 87.324 85.692
0.10 87.453 86.734 85.178
0.11 86.769 86.098 84.621
0.12 86.041 85.419 84.025
0.13 85.275 84.703 83.393
0.14 84.475 83.952 82.727
0.15 83.646 83.171 82.032
0.16 82.794 82.365 81.310
0.17 81.921 81.537 80.565
0.18 81.033 80.691 79.800
0.19 80.134 79.832 79.019
0.20 79.227 78.962 78.224
0.22 77.403 77.204 76.604
0.24 75.587 75.441 74.963
0.25 74.688 74.565 74.140
0.26 73.797 73.695 73.320
0.28 72.048 71.979 71.690
0.30 70.351 70.305 70.088
0.32 68.711 68.683 68.522
0.34 67.133 67.116 66.999
0.35 66.367 66.354 66.256
0.36 65.616 65.607 65.525
0.38 64.161 64.157 64.102
0.40 62.765 62.765 62.731
0.42 61.425 61.428 61.411
0.44 60.138 60.143 60.140
0.45 59.513 59.519 59.522
0.46 58.900 58.907 58.916
0.48 57.708 57.717 57.736
0.50 56.557 56.569 56.598
0.55 53.845 53.864 53.915
0.60 51.337 51.363 51.430
0.65 49.004 49.034 49.113
0.70 46.828 46.860 46.942
0.80 42.898 42.922 42.989
0.90 39.463 39.474 39.506
1.00 36.445 36.443 36.440
1.10 33.763 33.752 33.724
1.20 31.346 31.331 31.293
1.30 29.142 29.128 29.090
1.40 27.121 27.109 27.078
1.50 25.264 25.257 25.235
1.60 23.567 23.564 23.552
1.70 22.030 22.029 22.025
1.80 20.650 20.651 20.653
1.90 19.424 19.427 19.433
2.00 18.346 18.349 18.357