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

© International Union of Crystallography 2006
International Tables for Crystallography (2006). Vol. C. ch. 4.3, pp. 272-281

Table 4.3.1.2 

J. M. Cowleyb‡

Table 4.3.1.2 | top | pdf |
Atomic scattering amplitudes (Å) for electrons for ionized atoms

A discussion of the values quoted here for s = 0 is given in Subsection 4.3.1.6[link]. Self-consistent field calculations: HF: non-relativistic Hartree–Fock; DS: modified Dirac–Slater; RHF, *RHF: relativistic Hartree–Fock.

Element H1− Li1+ Be2+ O1− F1− Na1+ Mg2+ Al3+ Si4+ Cl1− K1+
Z 1 3 4 8 9 11 12 13 14 17 19
Method HF RHF RHF HF HF RHF RHF HF HF RHF RHF
(sin [\theta])/λ (Å−1)                      
0.00   0.157 0.082     1.130 0.831     6.770 3.436
0.01   239.497 478.762     240.469 479.511     −232.585 242.773
0.02   59.992 119.752     60.963 120.500     −53.125 63.260
0.03   26.750 53.268     27.719 54.015     −19.957 30.004
0.04 −12.00 15.115 29.999 −11.74 −12.21 16.081 30.745 45.52 60.34 −8.423 18.349
0.05 −6.78 9.730 19.229 −6.41 −6.85 10.692 19.972 29.36 38.80 −3.162 12.939
                       
0.06 −4.03 6.804 13.378 −3.55 −3.97 7.762 14.119 20.58 27.10 −0.381 9.983
0.07 −2.45 5.040 9.850 −1.86 −2.25 5.993 10.589 15.29 20.05 1.219 8.184
0.08 −1.48 3.894 7.560 −0.79 −1.16 4.841 8.296 11.85 15.46 2.187 6.999
0.09 −0.87 3.109 5.990 −0.09 −0.43 4.049 6.722 9.49 12.32 2.783 6.169
0.10 −0.47 2.546 4.867 0.39 0.08 3.480 5.595 7.81 10.08 3.147 5.559
                       
0.11 −0.20 2.130 4.036 0.72 0.43 3.056 4.760 6.56 8.41 3.361 5.092
0.12 −0.023 1.813 3.404 0.949 0.688 2.731 4.123 5.610 7.147 3.472 4.720
0.13 0.095 1.567 2.912 1.107 0.870 2.475 3.626 4.868 6.162 3.513 4.416
0.14 0.173 1.370 2.522 1.215 1.000 2.269 3.230 4.280 5.379 3.504 4.160
0.15 0.224 1.212 2.207 1.285 1.092 2.100 2.909 3.804 4.747 3.461 3.939
                       
0.16 0.257 1.082 1.949 1.329 1.157 1.960 2.645 3.413 4.230 3.393 3.745
0.17 0.276 0.974 1.735 1.352 1.200 1.841 2.425 3.089 3.800 3.308 3.571
0.18 0.286 0.883 1.556 1.359 1.226 1.738 2.239 2.817 3.440 3.211 3.414
0.19 0.288 0.806 1.404 1.355 1.239 1.650 2.081 2.585 3.135 3.108 3.269
0.20 0.287 0.740 1.274 1.343 1.242 1.571 1.944 2.387 2.873 3.000 3.135
                       
0.22 0.276 0.634 1.066 1.300 1.228 1.440 1.720 2.066 2.451 2.779 2.893
0.24 0.259 0.552 0.907 1.243 1.194 1.332 1.546 1.819 2.129 2.563 2.676
0.25 0.250 0.518 0.841 1.212 1.173 1.284 1.472 1.716 1.995 2.458 2.575
0.26 0.240 0.487 0.783 1.179 1.150 1.240 1.406 1.624 1.876 2.357 2.479
0.28 0.221 0.435 0.685 1.112 1.099 1.161 1.290 1.466 1.674 2.165 2.300
0.30 0.203 0.393 0.605 1.046 1.046 1.092 1.193 1.336 1.509 1.988 2.135
                       
0.32 0.186 0.357 0.539 0.981 0.992 1.029 1.110 1.228 1.372 1.827 1.983
0.34 0.170 0.327 0.485 0.918 0.939 0.972 1.038 1.136 1.257 1.680 1.843
0.35 0.163 0.314 0.461 0.889 0.912 0.946 1.005 1.094 1.206 1.613 1.778
0.36 0.156 0.301 0.439 0.860 0.887 0.920 0.974 1.056 1.159 1.548 1.715
0.38 0.143 0.279 0.400 0.804 0.837 0.872 0.917 0.987 1.075 1.429 1.596
0.40 0.132 0.259 0.366 0.753 0.789 0.827 0.866 0.925 1.001 1.322 1.488
                       
0.42 0.122 0.242 0.337 0.704 0.744 0.785 0.820 0.871 0.937 1.226 1.388
0.44 0.112 0.227 0.312 0.660 0.702 0.746 0.777 0.822 0.880 1.139 1.296
0.45 0.108 0.220 0.300 0.639 0.682 0.727 0.757 0.799 0.853 1.099 1.253
0.46 0.104 0.213 0.290 0.618 0.662 0.709 0.738 0.778 0.829 1.061 1.212
0.48 0.096 0.200 0.270 0.580 0.625 0.675 0.701 0.737 0.783 0.991 1.135
0.50 0.090 0.189 0.252 0.544 0.590 0.642 0.668 0.701 0.741 0.928 1.064
                       
0.55 0.075 0.165 0.216 0.467 0.512 0.569 0.593 0.620 0.652 0.796 0.912
0.60 0.064 0.145 0.188 0.403 0.446 0.506 0.529 0.553 0.580 0.691 0.789
0.65 0.055 0.129 0.165 0.351 0.391 0.451 0.474 0.496 0.519 0.608 0.690
0.70 0.048 0.115 0.146 0.307 0.345 0.403 0.426 0.447 0.468 0.541 0.609
0.80 0.037 0.093 0.118 0.241 0.272 0.325 0.347 0.367 0.385 0.439 0.488
0.90 0.029 0.077 0.097 0.193 0.219 0.266 0.286 0.305 0.321 0.366 0.402
1.00 0.024 0.064 0.081 0.159 0.180 0.221 0.239 0.256 0.271 0.311 0.338
                       
1.10 0.020 0.054 0.069 0.133 0.150 0.185 0.201 0.217 0.231 0.267 0.290
1.20 0.017 0.046 0.059 0.113 0.128 0.157 0.172 0.186 0.198 0.232 0.252
1.30 0.014 0.040 0.052 0.097 0.110 0.135 0.148 0.160 0.172 0.202 0.221
1.40 0.012 0.035 0.045 0.085 0.095 0.118 0.129 0.140 0.150 0.178 0.195
1.50 0.011 0.031 0.040 0.075 0.084 0.103 0.113 0.123 0.132 0.158 0.173
                       
1.60   0.027 0.035     0.091 0.100     0.141 0.155
1.70   0.024 0.032     0.081 0.089     0.126 0.139
1.80   0.022 0.028     0.073 0.080     0.113 0.125
1.90   0.020 0.026     0.066 0.072     0.102 0.114
2.00   0.018 0.023     0.060 0.065     0.093 0.103

Element Ca2+ Sc3+ Ti2+ Ti3+ Ti4+ V2+ V3+ V5+ Cr2+ Cr3+ Mn2+
Z 20 21 22 22 22 23 23 23 24 24 25
Method RHF HF HF HF HF RHF HF HF HF HF RHF
(sin [\theta])/λ (Å−1)                      
0.00 2.711         2.904         2.846
0.01 481.390         481.582         481.525
0.02 122.375         122.566         122.510
0.03 55.883         56.074         56.018
0.04 32.602 47.08 32.80 47.15 61.67 32.791 47.18 76.36 32.79 47.19 32.738
0.05 21.817 30.91 22.01 30.98 40.13 22.005 31.02 49.43 22.00 31.03 21.953
                       
0.06 15.948 22.13 16.14 22.19 28.42 16.134 22.23 34.80 16.13 22.24 16.085
0.07 12.399 16.82 12.59 16.89 21.35 12.583 16.92 25.98 12.58 16.93 12.537
0.08 10.085 13.37 10.27 13.44 16.77 10.267 13.47 20.24 10.26 13.48 10.225
0.09 8.489 11.00 8.67 11.07 13.62 8.668 11.10 16.31 8.67 11.11 8.630
0.10 7.336 9.30 7.52 9.36 11.36 7.514 9.39 13.49 7.51 9.41 7.479
                       
0.11 6.473 8.03 6.65 8.09 9.68 6.648 8.13 11.41 6.65 8.14 6.618
0.12 5.807 7.057 5.977 7.120 8.400 5.980 7.155 9.815 5.983 7.172 5.954
0.13 5.279 6.295 5.444 6.359 7.400 5.449 6.394 8.574 5.455 6.410 5.428
0.14 4.850 5.684 5.011 5.747 6.603 5.018 5.782 7.584 5.026 5.800 5.002
0.15 4.495 5.185 4.653 5.247 5.954 4.661 5.284 6.784 4.671 5.302 4.650
                       
0.16 4.196 4.770 4.349 4.832 5.418 4.360 4.868 6.126 4.372 4.888 4.353
0.17 3.939 4.421 4.089 4.481 4.971 4.102 4.518 5.577 4.116 4.539 4.100
0.18 3.716 4.121 3.863 4.182 4.591 3.877 4.220 5.113 3.894 4.242 3.880
0.19 3.519 3.863 3.663 3.923 4.266 3.679 3.961 4.719 3.698 3.984 3.686
0.20 3.343 3.637 3.485 3.697 3.984 3.503 3.735 4.378 3.523 3.759 3.514
                       
0.22 3.041 3.259 3.178 3.318 3.520 3.200 3.358 3.824 3.224 3.384 3.220
0.24 2.787 2.953 2.920 3.012 3.155 2.946 3.053 3.391 2.973 3.081 2.975
0.25 2.674 2.821 2.806 2.879 2.998 2.833 2.921 3.209 2.862 2.950 2.865
0.26 2.568 2.699 2.699 2.757 2.857 2.727 2.799 3.045 2.758 2.830 2.764
0.28 2.376 2.482 2.504 2.540 2.610 2.536 2.584 2.761 2.569 2.616 2.579
0.30 2.204 2.294 2.331 2.352 2.399 2.365 2.396 2.524 2.401 2.430 2.415
                       
0.32 2.049 2.128 2.174 2.185 2.217 2.211 2.231 2.322 2.249 2.266 2.266
0.34 1.907 1.980 2.032 2.037 2.057 2.071 2.073 2.147 2.111 2.120 2.131
0.35 1.842 1.911 1.966 1.968 1.984 2.005 2.015 2.068 2.046 2.053 2.068
0.36 1.778 1.846 1.903 1.903 1.915 1.943 1.950 1.994 1.984 1.988 2.007
0.38 1.660 1.725 1.783 1.781 1.788 1.825 1.829 1.858 1.867 1.868 1.893
0.40 1.551 1.614 1.673 1.670 1.673 1.716 1.718 1.736 1.759 1.758 1.787
                       
0.42 1.451 1.512 1.572 1.568 1.569 1.615 1.616 1.627 1.659 1.657 1.688
0.44 1.359 1.419 1.478 1.474 1.473 1.522 1.522 1.528 1.566 1.563 1.597
0.45 1.316 1.375 1.433 1.429 1.428 1.477 1.477 1.481 1.522 1.519 1.553
0.46 1.274 1.333 1.391 1.387 1.385 1.435 1.434 1.437 1.480 1.476 1.511
0.48 1.196 1.253 1.310 1.306 1.304 1.354 1.354 1.354 1.399 1.395 1.432
0.50 1.124 1.180 1.235 1.232 1.229 1.279 1.279 1.277 1.324 1.320 1.357
                       
0.55 0.967 1.019 1.070 1.068 1.066 1.113 1.113 1.110 1.156 1.154 1.190
0.60 0.838 0.886 0.933 0.931 0.930 0.973 0.974 0.971 1.015 1.013 1.049
0.65 0.733 0.776 0.818 0.817 0.816 0.856 0.857 0.855 0.895 0.894 0.928
0.70 0.647 0.685 0.722 0.722 0.721 0.757 0.758 0.756 0.793 0.792 0.824
0.80 0.515 0.544 0.574 0.574 0.574 0.602 0.603 0.603 0.632 0.632 0.659
0.90 0.422 0.444 0.467 0.467 0.467 0.490 0.491 0.491 0.515 0.515 0.538
1.00 0.354 0.371 0.389 0.389 0.389 0.408 0.408 0.408 0.427 0.427 0.446
                       
1.10 0.302 0.316 0.331 0.331 0.330 0.345 0.346 0.345 0.361 0.361 0.377
1.20 0.262 0.273 0.285 0.285 0.285 0.297 0.297 0.297 0.310 0.310 0.323
1.30 0.230 0.239 0.249 0.249 0.249 0.259 0.259 0.259 0.270 0.270 0.280
1.40 0.203 0.211 0.220 0.220 0.219 0.228 0.228 0.228 0.237 0.237 0.246
1.50 0.180 0.188 0.195 0.195 0.195 0.203 0.203 0.202 0.211 0.211 0.218
                       
1.60 0.161         0.181         0.195
1.70 0.145         0.163         0.175
1.80 0.131         0.148         0.159
1.90 0.119         0.134         0.144
2.00 0.108         0.123         0.132

Element Mn3+ Mn4+ Fe2+ Fe3+ Co2+ Co3+ Ni2+ Ni3+ Cu1+ Cu2+ Zn2+
Z 25 25 26 26 27 27 28 28 29 29 30
Method HF HF RHF RHF RHF HF RHF HF RHF HF RHF
(sin [\theta])/λ (Å−1)                      
0.00     2.802 2.298 2.754   2.703   3.280   2.599
0.01     481.481 720.318 481.433   481.382   242.618   481.278
0.02     122.467 181.800 122.419   122.368   63.107   122.265
0.03     55.976 82.070 55.928   55.878   29.855   55.776
0.04 47.18 61.76 32.696 47.160 32.650 47.15 32.600 47.12 18.206 32.55 32.499
0.05 31.02 40.22 21.913 30.996 21.867 30.98 21.819 30.96 12.803 21.77 21.719
                       
0.06 22.23 28.51 16.046 22.210 16.002 22.20 15.955 22.17 9.856 15.90 15.857
0.07 16.93 21.44 12.500 16.907 12.457 16.90 12.411 16.87 8.066 12.36 12.316
0.08 13.48 16.85 10.189 13.459 10.148 13.45 10.103 13.43 6.893 10.06 10.011
0.09 11.11 13.70 8.596 11.089 8.556 11.08 8.513 11.06 6.076 8.47 8.424
0.10 9.41 11.45 7.447 9.388 7.409 9.38 7.368 9.36 5.479 7.33 7.282
                       
0.11 8.14 9.77 6.588 8.124 6.553 8.12 6.513 8.10 5.027 6.47 6.430
0.12 7.174 8.492 5.926 7.156 5.893 7.150 5.856 7.132 4.671 5.817 5.776
0.13 6.413 7.492 5.403 6.398 5.371 6.393 5.336 6.376 4.383 5.299 5.260
0.14 5.804 6.695 4.979 5.790 4.950 5.787 4.917 5.770 4.144 4.883 4.845
0.15 5.307 6.047 4.629 5.294 4.603 5.293 4.572 5.277 3.942 4.540 4.504
                       
0.16 4.894 5.514 4.335 4.884 4.311 4.883 4.283 4.869 3.766 4.253 4.219
0.17 4.547 5.068 4.084 4.538 4.063 4.538 4.036 4.526 3.612 4.009 3.976
0.18 4.251 4.689 3.867 4.243 3.847 4.245 3.824 4.234 3.474 3.799 3.768
0.19 3.995 4.366 3.676 3.989 3.659 3.993 3.638 3.983 3.349 3.615 3.586
0.20 3.771 4.086 3.506 3.767 3.492 3.772 3.473 3.764 3.234 3.453 3.426
                       
0.22 3.399 3.625 3.217 3.397 3.207 3.405 3.193 3.400 3.030 3.178 3.154
0.24 3.099 3.262 2.976 3.100 2.971 3.111 2.961 3.109 2.851 2.950 2.930
0.25 2.969 3.108 2.869 2.972 2.866 2.984 2.858 2.984 2.769 2.850 2.831
0.26 2.850 2.968 2.769 2.855 2.768 2.868 2.763 2.869 2.690 2.757 2.740
0.28 2.639 2.723 2.589 2.646 2.592 2.662 2.590 2.666 2.544 2.588 2.574
0.30 2.455 2.516 2.428 2.466 2.434 2.484 2.436 2.490 2.410 2.438 2.428
                       
0.32 2.294 2.336 2.282 2.307 2.293 2.327 2.298 2.336 2.285 2.303 2.296
0.34 2.149 2.179 2.150 2.165 2.163 2.187 2.172 2.199 2.169 2.180 2.176
0.35 2.083 2.107 2.088 2.099 2.103 2.123 2.113 2.135 2.114 2.123 2.120
0.36 2.019 2.039 2.029 2.037 2.045 2.061 2.056 2.075 2.061 2.067 2.066
0.38 1.900 1.913 1.917 1.920 1.935 1.946 1.949 1.962 1.959 1.963 1.964
0.40 1.791 1.799 1.813 1.813 1.833 1.841 1.849 1.858 1.864 1.866 1.869
                       
0.42 1.691 1.695 1.716 1.715 1.739 1.743 1.756 1.762 1.774 1.775 1.781
0.44 1.598 1.600 1.626 1.623 1.650 1.653 1.670 1.674 1.690 1.690 1.697
0.45 1.554 1.555 1.583 1.580 1.608 1.610 1.628 1.631 1.649 1.649 1.658
0.46 1.512 1.512 1.542 1.538 1.567 1.569 1.588 1.591 1.610 1.610 1.619
0.48 1.432 1.431 1.463 1.459 1.489 1.490 1.512 1.513 1.535 1.535 1.546
0.50 1.357 1.355 1.389 1.385 1.416 1.417 1.440 1.441 1.464 1.464 1.476
                       
0.55 1.190 1.188 1.223 1.220 1.252 1.252 1.277 1.278 1.303 1.303 1.319
0.60 1.049 1.047 1.081 1.079 1.111 1.111 1.137 1.138 1.163 1.164 1.182
0.65 0.928 0.927 0.959 0.958 0.989 0.989 1.015 1.016 1.042 1.043 1.061
0.70 0.825 0.824 0.855 0.854 0.883 0.884 0.910 0.910 0.935 0.936 0.956
0.80 0.660 0.660 0.687 0.686 0.713 0.713 0.737 0.738 0.761 0.762 0.782
0.90 0.538 0.538 0.561 0.561 0.583 0.584 0.605 0.606 0.627 0.628 0.646
1.00 0.447 0.447 0.466 0.466 0.485 0.486 0.504 0.505 0.523 0.524 0.541
                       
1.10 0.377 0.377 0.393 0.393 0.409 0.410 0.425 0.426 0.441 0.442 0.457
1.20 0.323 0.323 0.336 0.336 0.350 0.350 0.364 0.364 0.378 0.378 0.391
1.30 0.281 0.281 0.291 0.291 0.303 0.304 0.315 0.315 0.327 0.327 0.339
1.40 0.246 0.246 0.256 0.256 0.265 0.266 0.275 0.276 0.286 0.286 0.296
1.50 0.219 0.218 0.226 0.226 0.235 0.235 0.243 0.244 0.252 0.253 0.261
                       
1.60     0.202 0.202 0.209   0.217   0.224   0.232
1.70     0.182 0.182 0.188   0.195   0.201   0.208
1.80     0.164 0.164 0.170   0.176   0.182   0.188
1.90     0.149 0.149 0.155   0.160   0.165   0.170
2.00     0.136 0.136 0.141   0.146   0.150   0.155

Element Ga3+ Ge4+ Br1− Rb1+ Sr2+ Y3+ Zr4+ Nb3+ Nb5+ Mo3+ Mo5+
Z 31 32 35 37 38 39 40 41 41 42 42
Method HF HF RHF RHF RHF *DS *DS *DS *DS *DS *DS
(sin [\theta])/λ (Å−1)                      
0.00     9.357 5.545 4.642            
0.01     −230.004 244.880 483.320            
0.02     −50.565 65.359 124.299            
0.03     −17.431 32.090 57.798            
0.04 47.03 61.67 −5.942 20.419 34.505 48.84 63.31 49.33 77.86 49.44 78.04
0.05 30.87 40.13 −0.738 14.987 23.704 32.67 41.74 33.15 50.92 33.26 51.09
                       
0.06 22.09 28.43 1.978 12.005 17.816 23.86 30.02 24.34 36.28 24.45 36.45
0.07 16.78 21.37 3.508 10.176 14.246 18.54 22.95 19.01 27.45 19.11 27.61
0.08 13.34 16.78 4.399 8.957 11.907 15.07 18.34 15.52 21.70 15.63 21.87
0.09 10.97 13.63 4.917 8.091 10.283 12.68 15.17 13.12 17.76 13.23 17.92
0.10 9.28 11.38 5.202 7.442 9.101 10.95 12.90 11.38 14.92 11.49 15.09
                       
0.11 8.02 9.71 5.335 6.932 8.206 9.66 11.20 10.07 12.82 10.18 12.98
0.12 7.057 8.437 5.367 6.516 7.506 8.658 9.898 9.062 11.212 9.170 11.369
0.13 6.305 7.442 5.331 6.166 6.942 7.867 8.874 8.257 9.952 8.364 10.105
0.14 5.703 6.650 5.248 5.863 6.477 7.227 8.052 7.601 8.945 7.708 9.094
0.15 5.213 5.818 5.132 5.595 6.084 6.696 7.378 7.057 8.124 7.163 8.269
                       
0.16 4.809 5.481 4.996 5.352 5.746 6.249 6.817 6.596 7.444 6.702 7.586
0.17 4.470 5.041 4.846 5.130 5.449 5.867 6.343 6.200 6.873 6.304 7.012
0.18 4.182 4.669 4.688 4.925 5.186 5.534 5.936 5.853 6.388 5.957 6.523
0.19 3.934 4.351 4.527 4.733 4.949 5.242 5.582 5.548 5.969 5.650 6.101
0.20 3.719 4.078 4.365 4.552 4.734 4.981 5.273 5.275 5.605 5.376 5.733
                       
0.22 3.364 3.631 4.046 4.218 4.352 4.535 4.751 4.805 5.002 4.903 5.123
0.24 3.081 3.281 3.745 3.914 4.021 4.161 4.327 4.410 4.520 4.505 4.634
0.25 2.960 3.133 3.602 3.773 3.871 3.995 4.143 4.233 4.313 4.327 4.424
0.26 2.849 3.000 3.465 3.638 3.729 3.841 3.972 4.069 4.124 4.162 4.232
0.28 2.654 2.769 3.208 3.384 3.466 3.560 3.668 3.771 3.791 3.860 3.892
0.30 2.487 2.574 2.975 3.151 3.228 3.311 3.403 3.507 3.505 3.592 3.599
                       
0.32 2.340 2.407 2.765 2.938 3.012 3.088 3.168 3.269 3.255 3.351 3.344
0.34 2.210 2.262 2.576 2.744 2.815 2.886 2.957 3.054 3.034 3.132 3.117
0.35 2.150 2.195 2.488 2.652 2.723 2.792 2.860 2.955 2.933 3.031 3.013
0.36 2.093 2.133 2.405 2.565 2.635 2.702 2.768 2.859 2.837 2.934 2.915
0.38 1.986 2.018 2.252 2.403 2.470 2.534 2.596 2.681 2.659 2.752 2.732
0.40 1.888 1.914 2.114 2.254 2.319 2.381 2.439 2.518 2.497 2.585 2.566
                       
0.42 1.798 1.819 1.990 2.119 2.180 2.240 2.295 2.369 2.350 2.432 2.414
0.44 1.714 1.732 1.877 1.996 2.053 2.111 2.163 2.231 2.215 2.292 2.276
0.45 1.674 1.691 1.825 1.938 1.994 2.050 2.102 2.167 2.152 2.225 2.211
0.46 1.635 1.652 1.775 1.883 1.937 1.992 2.042 2.105 2.092 2.162 2.148
0.48 1.562 1.577 1.682 1.780 1.831 1.883 1.931 1.988 1.978 2.042 2.031
0.50 1.493 1.507 1.598 1.686 1.733 1.782 1.828 1.881 1.872 1.931 1.922
                       
0.55 1.337 1.351 1.415 1.483 1.522 1.564 1.604 1.647 1.643 1.690 1.686
0.60 1.201 1.216 1.266 1.318 1.350 1.385 1.419 1.454 1.453 1.491 1.489
0.65 1.082 1.098 1.140 1.182 1.208 1.237 1.266 1.295 1.295 1.326 1.326
0.70 0.977 0.994 1.034 1.068 1.089 1.113 1.137 1.161 1.163 1.188 1.188
0.80 0.803 0.821 0.860 0.887 0.902 0.919 0.937 0.954 0.955 0.973 0.974
0.90 0.667 0.684 0.725 0.749 0.761 0.775 0.788 0.801 0.802 0.815 0.816
1.00 0.559 0.575 0.616 0.640 0.651 0.662 0.673 0.684 0.685 0.696 0.696
                       
1.10 0.474 0.489 0.528 0.551 0.562 0.572 0.582 0.591 0.592 0.601 0.601
1.20 0.406 0.419 0.456 0.478 0.488 0.498 0.507 0.516 0.516 0.525 0.525
1.30 0.351 0.363 0.396 0.417 0.427 0.436 0.445 0.453 0.453 0.462 0.462
1.40 0.307 0.317 0.347 0.366 0.376 0.384 0.393 0.401 0.401 0.408 0.408
1.50 0.271 0.280 0.306 0.324 0.332 0.340 0.348 0.356 0.356 0.363 0.363
                       
1.60     0.272 0.288 0.296 0.303 0.311 0.318 0.318 0.325 0.325
1.70     0.243 0.257 0.265 0.271 0.278 0.285 0.285 0.292 0.292
1.80     0.219 0.232 0.238 0.244 0.251 0.257 0.257 0.263 0.263
1.90     0.198 0.209 0.215 0.221 0.227 0.232 0.232 0.238 0.238
2.00     0.180 0.190 0.196 0.201 0.206 0.211 0.211 0.216 0.216

Element Mo3+ Ru3+ Ru4+ Rh3+ Rh4+ Pd2+ Pd4+ Ag1+ Ag2+ Cd2+ In3+
Z 42 44 44 45 45 46 46 47 47 48 49
Method *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS
(sin [\theta])/λ (Å−1)                      
0.00                      
0.01                      
0.02                      
0.03                      
0.04 92.49 49.53 63.83 49.53 63.87 35.30 63.89 21.21 35.23 35.15 49.41
0.05 60.17 33.34 42.27 33.35 42.31 24.50 42.32 15.77 24.43 24.36 33.23
                       
0.06 42.61 24.54 30.54 24.55 30.58 18.61 30.61 12.79 18.54 18.47 24.43
0.07 32.01 19.21 23.46 19.22 23.50 15.03 23.52 10.96 14.97 14.90 19.11
0.08 25.13 15.73 18.85 15.74 18.89 12.69 18.92 9.73 12.63 12.56 15.65
0.09 20.40 13.33 15.68 13.34 15.72 11.06 15.75 8.87 11.00 10.94 13.26
0.10 17.02 11.59 13.39 11.61 13.44 9.87 13.46 8.22 9.82 9.76 11.53
                       
0.11 14.50 10.29 11.69 10.31 11.74 8.97 11.76 7.70 8.92 8.87 10.24
0.12 12.585 9.281 10.381 9.301 10.430 8.259 10.458 7.287 8.217 8.169 9.249
0.13 11.086 8.480 9.351 8.502 9.399 7.687 9.431 6.935 7.652 7.608 8.463
0.14 9.891 7.827 8.521 7.853 8.571 7.214 8.603 6.631 7.184 7.146 7.826
0.15 8.919 7.286 7.840 7.313 7.891 6.813 7.924 6.361 6.789 6.756 7.299
                       
0.16 8.118 6.827 7.271 6.858 7.322 6.467 7.357 6.117 6.448 6.419 6.856
0.17 7.449 6.432 6.788 6.465 6.841 6.163 6.877 5.894 6.149 6.126 6.476
0.18 6.881 6.088 6.372 6.124 6.426 5.892 6.464 5.687 5.883 5.865 6.147
0.19 6.395 5.784 6.011 5.822 6.065 5.647 6.105 5.494 5.643 5.629 5.858
0.20 5.975 5.511 5.692 5.553 5.747 5.423 5.788 5.312 5.424 5.416 5.600
                       
0.22 5.283 5.042 5.153 5.087 5.211 5.026 5.255 4.975 5.036 5.036 5.158
0.24 4.739 4.646 4.712 4.695 4.771 4.679 4.818 4.667 4.697 4.705 4.786
0.25 4.508 4.469 4.519 4.520 4.578 4.521 4.626 4.522 4.541 4.553 4.621
0.26 4.297 4.304 4.340 4.356 4.400 4.370 4.449 4.383 4.394 4.410 4.466
0.28 3.931 4.003 4.020 4.057 4.080 4.090 4.130 4.120 4.121 4.142 4.184
0.30 3.620 3.733 3.738 3.789 3.799 3.836 3.850 3.876 3.871 3.898 3.930
                       
0.32 3.352 3.490 3.488 3.547 3.548 3.601 3.601 3.649 3.640 3.672 3.701
0.34 3.118 3.269 3.263 3.327 3.323 3.385 3.376 3.437 3.427 3.463 3.490
0.35 3.011 3.166 3.158 3.224 3.218 3.284 3.271 3.336 3.327 3.363 3.390
0.36 2.910 3.067 3.058 3.125 3.118 3.185 3.171 3.239 3.230 3.268 3.295
0.38 2.725 2.882 2.872 2.939 2.931 3.000 2.984 3.055 3.046 3.086 3.115
0.40 2.557 2.711 2.702 2.768 2.759 2.828 2.812 2.883 2.875 2.917 2.947
                       
0.42 2.406 2.553 2.545 2.609 2.601 2.668 2.653 2.723 2.716 2.759 2.790
0.44 2.267 2.408 2.400 2.462 2.454 2.520 2.505 2.573 2.567 2.611 2.643
0.45 2.202 2.339 2.332 2.393 2.385 2.450 2.436 2.502 2.497 2.541 2.574
0.46 2.140 2.273 2.266 2.326 2.319 2.382 2.369 2.434 2.429 2.473 2.506
0.48 2.024 2.148 2.143 2.199 2.193 2.253 2.242 2.304 2.300 2.343 2.378
0.50 1.916 2.033 2.028 2.082 2.077 2.133 2.124 2.182 2.179 2.222 2.258
                       
0.55 1.682 1.779 1.776 1.823 1.820 1.869 1.863 1.913 1.912 1.953 1.989
0.60 1.487 1.568 1.567 1.607 1.606 1.647 1.644 1.687 1.686 1.725 1.760
0.65 1.325 1.392 1.392 1.426 1.426 1.461 1.460 1.496 1.496 1.531 1.564
0.70 1.189 1.244 1.244 1.274 1.274 1.304 1.304 1.335 1.335 1.367 1.397
0.80 0.975 1.014 1.015 1.036 1.037 1.059 1.060 1.083 1.083 1.107 1.132
0.90 0.817 0.846 0.846 0.863 0.863 0.880 0.880 0.898 0.898 0.917 0.936
1.00 0.696 0.719 0.720 0.732 0.732 0.745 0.746 0.759 0.759 0.774 0.789
                       
1.10 0.602 0.621 0.621 0.631 0.631 0.642 0.642 0.653 0.653 0.664 0.676
1.20 0.525 0.542 0.542 0.551 0.551 0.560 0.560 0.569 0.569 0.578 0.588
1.30 0.462 0.477 0.477 0.485 0.485 0.493 0.493 0.501 0.501 0.508 0.516
1.40 0.409 0.423 0.423 0.430 0.430 0.437 0.437 0.444 0.444 0.451 0.458
1.50 0.363 0.377 0.377 0.384 0.384 0.391 0.391 0.397 0.397 0.403 0.409
                       
1.60 0.325 0.338 0.338 0.344 0.344 0.350 0.350 0.356 0.356 0.362 0.368
1.70 0.292 0.304 0.304 0.310 0.310 0.316 0.316 0.322 0.322 0.327 0.332
1.80 0.263 0.275 0.275 0.280 0.280 0.286 0.286 0.291 0.291 0.296 0.301
1.90 0.238 0.249 0.249 0.254 0.254 0.260 0.260 0.265 0.265 0.270 0.274
2.00 0.216 0.227 0.227 0.232 0.232 0.237 0.237 0.241 0.241 0.246 0.251

Element Sn2+ Sn4+ Sb3+ Sb5+ I1− Cs1+ Ba2+ La3+ Ce3+ Ce4+ Pr3+
Z 50 50 51 51 53 55 56 57 58 58 59
Method RHF RHF *DS *DS RHF RHF *DS *DS *DS *DS *DS
(sin [\theta])/λ (Å−1)                      
0.00 6.144 3.971     13.835 9.035          
0.01 484.819 961.330     −225.540 248.365          
0.02 125.792 243.305     −46.145 68.827          
0.03 59.280 110.331     −13.083 35.532          
0.04 35.972 63.782 50.16 78.38 −1.690 23.823 37.64 51.70 51.62 65.94 51.53
0.05 25.152 42.227 33.97 51.44 3.399 18.344 26.81 35.49 35.42 44.36 35.34
                       
0.06 19.242 30.510 25.14 36.81 5.981 15.307 20.87 26.65 26.59 32.62 26.51
0.07 15.646 23.435 19.81 27.97 7.365 13.414 17.25 21.30 21.23 25.51 21.15
0.08 13.280 18.833 16.32 22.22 8.103 12.124 14.86 17.78 17.72 20.87 17.65
0.09 11.625 15.668 13.91 18.28 8.462 11.180 13.17 15.34 15.29 17.66 15.22
0.10 10.411 13.395 12.16 15.45 8.586 10.448 11.92 13.57 13.51 15.34 13.45
                       
0.11 9.484 11.703 10.85 13.35 8.560 9.851 10.96 12.22 12.17 13.60 12.11
0.12 8.750 10.407 9.825 11.743 8.437 9.345 10.185 11.163 11.119 12.258 11.064
0.13 8.152 9.388 9.010 10.486 8.249 8.903 9.547 10.313 10.275 11.185 10.224
0.14 7.653 8.571 8.344 9.480 8.021 8.506 9.003 9.610 9.576 10.312 9.531
0.15 7.227 7.902 7.790 8.660 7.767 8.143 8.531 9.016 8.987 9.586 8.947
                       
0.16 6.856 7.345 7.319 7.982 7.500 7.806 8.113 8.505 8.482 8.972 8.446
0.17 6.528 6.875 6.911 7.413 7.228 7.491 7.738 8.056 8.038 8.441 8.008
0.18 6.234 6.473 6.555 6.928 6.955 7.193 7.395 7.658 7.645 7.979 7.619
0.19 5.968 6.124 6.239 6.512 6.685 6.911 7.080 7.300 7.292 7.569 7.270
0.20 5.725 5.818 5.955 6.149 6.423 6.643 6.787 6.974 6.970 7.202 6.954
                       
0.22 5.293 5.304 5.464 5.548 5.925 6.143 6.256 6.398 6.403 6.568 6.396
0.24 4.918 4.886 5.050 5.067 5.468 5.688 5.785 5.900 5.912 6.033 5.914
0.25 4.747 4.703 4.864 4.860 5.255 5.475 5.568 5.674 5.690 5.794 5.695
0.26 4.586 4.535 4.691 4.671 5.054 5.272 5.362 5.461 5.480 5.570 5.489
0.28 4.289 4.232 4.375 4.336 4.681 4.893 4.980 5.069 5.094 5.163 5.109
0.30 4.021 3.967 4.094 4.048 4.348 4.549 4.633 4.716 4.745 4.800 4.766
                       
0.32 3.778 3.730 3.840 3.793 4.049 4.237 4.318 4.396 4.429 4.474 4.454
0.34 3.556 3.516 3.611 3.567 3.782 3.954 4.032 4.106 4.142 4.179 4.170
0.35 3.452 3.416 3.503 3.463 3.658 3.823 3.899 3.971 4.008 4.042 4.037
0.36 3.352 3.320 3.401 3.363 3.541 3.698 3.772 3.843 3.880 3.911 3.910
0.38 3.164 3.140 3.208 3.177 3.325 3.466 3.536 3.602 3.640 3.667 3.673
0.40 2.991 2.973 3.031 3.006 3.129 3.255 3.321 3.383 3.422 3.444 3.455
                       
0.42 2.830 2.817 2.867 2.848 2.951 3.064 3.124 3.183 3.221 3.240 3.255
0.44 2.680 2.672 2.716 2.702 2.789 2.890 2.946 3.000 3.038 3.054 3.072
0.45 2.610 2.604 2.644 2.632 2.714 2.808 2.862 2.914 2.952 2.967 2.986
0.46 2.541 2.537 2.575 2.565 2.641 2.731 2.782 2.832 2.870 2.883 2.904
0.48 2.412 2.410 2.444 2.438 2.505 2.586 2.632 2.679 2.715 2.726 2.749
0.50 2.290 2.291 2.322 2.319 2.379 2.452 2.495 2.538 2.573 2.582 2.606
                       
0.55 2.020 2.023 2.050 2.051 2.103 2.163 2.197 2.232 2.264 2.268 2.295
0.60 1.791 1.794 1.819 1.822 1.871 1.923 1.951 1.980 2.010 2.011 2.038
0.65 1.594 1.597 1.622 1.625 1.673 1.721 1.745 1.770 1.797 1.796 1.823
0.70 1.426 1.428 1.453 1.455 1.503 1.548 1.570 1.592 1.617 1.615 1.641
0.80 1.157 1.157 1.181 1.182 1.227 1.269 1.288 1.307 1.328 1.326 1.349
0.90 0.956 0.956 0.976 0.977 1.017 1.055 1.072 1.090 1.108 1.107 1.126
1.00 0.805 0.804 0.821 0.821 0.855 0.888 0.904 0.920 0.936 0.935 0.952
                       
1.10 0.688 0.688 0.702 0.702 0.729 0.757 0.771 0.785 0.799 0.799 0.813
1.20 0.597 0.597 0.608 0.608 0.630 0.654 0.666 0.678 0.690 0.690 0.702
1.30 0.525 0.524 0.534 0.533 0.551 0.571 0.581 0.591 0.602 0.602 0.612
1.40 0.465 0.465 0.473 0.473 0.487 0.504 0.512 0.521 0.530 0.530 0.539
1.50 0.416 0.416 0.422 0.422 0.435 0.448 0.456 0.463 0.471 0.471 0.478
                       
1.60 0.374 0.374 0.379 0.379 0.391 0.402 0.409 0.415 0.421 0.421 0.428
1.70 0.338 0.338 0.343 0.343 0.353 0.364 0.369 0.374 0.380 0.380 0.386
1.80 0.306 0.306 0.311 0.311 0.321 0.330 0.335 0.340 0.345 0.345 0.350
1.90 0.279 0.279 0.284 0.284 0.293 0.301 0.306 0.310 0.314 0.314 0.319
2.00 0.255 0.255 0.259 0.259 0.268 0.276 0.280 0.284 0.288 0.288 0.292

Element Pr4+ Nd3+ Pm3+ Sm3+ Eu2+ Eu3+ Gd3+ Tb3+ Dy3+ Ho3+ Er3+
Z 59 60 61 62 63 63 64 65 66 67 68
Method *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS
(sin [\theta])/λ (Å−1)                      
0.00                      
0.01                      
0.02                      
0.03                      
0.04 65.86 51.44 51.35 51.26 36.99 51.17 51.08 51.04 50.92 50.83 50.74
0.05 44.30 35.25 35.15 35.07 26.17 34.97 34.90 34.85 34.72 34.64 34.55
                       
0.06 32.55 26.42 26.33 26.25 20.26 26.15 26.08 26.02 25.92 25.83 25.74
0.07 25.44 21.07 20.98 20.90 16.67 20.81 20.74 20.68 20.58 20.50 20.41
0.08 20.81 17.57 17.49 17.41 14.30 17.32 17.25 17.19 17.09 17.01 16.93
0.09 17.60 15.14 15.06 14.98 12.65 14.90 14.83 14.77 14.68 14.60 14.53
0.10 15.29 13.38 13.30 13.23 11.44 13.15 13.08 13.02 12.94 12.86 12.79
                       
0.11 13.55 12.04 11.97 11.90 10.51 11.83 11.76 11.71 11.62 11.55 11.48
0.12 12.210 11.003 10.937 10.870 9.770 10.802 10.739 10.681 10.604 10.538 10.469
0.13 11.141 10.167 10.106 10.044 9.167 9.979 9.919 9.863 9.792 9.728 9.664
0.14 10.272 9.480 9.422 9.366 8.663 9.305 9.248 9.194 9.128 9.068 9.007
0.15 9.550 8.901 8.849 8.796 8.229 8.740 8.686 8.634 8.574 8.517 8.460
                       
0.16 8.939 8.405 8.357 8.310 7.850 8.257 8.207 8.158 8.102 8.049 7.995
0.17 8.413 7.972 7.930 7.886 7.511 7.838 7.791 7.746 7.694 7.645 7.594
0.18 7.955 7.589 7.551 7.512 7.206 7.468 7.425 7.383 7.335 7.290 7.242
0.19 7.549 7.245 7.212 7.177 6.927 7.138 7.099 7.059 7.016 6.974 6.930
0.20 7.187 6.932 6.904 6.874 6.669 6.839 6.804 6.768 6.729 6.690 6.650
                       
0.22 6.561 6.384 6.364 6.342 6.204 6.316 6.289 6.258 6.227 6.196 6.162
0.24 6.033 5.910 5.899 5.884 5.792 5.865 5.845 5.822 5.798 5.773 5.745
0.25 5.797 5.695 5.687 5.677 5.601 5.661 5.645 5.625 5.604 5.582 5.557
0.26 5.577 5.492 5.488 5.481 5.419 5.469 5.456 5.439 5.421 5.402 5.380
0.28 5.176 5.118 5.121 5.120 5.080 5.115 5.107 5.096 5.085 5.071 5.055
0.30 4.818 4.780 4.789 4.793 4.768 4.794 4.792 4.787 4.780 4.772 4.760
                       
0.32 4.496 4.473 4.486 4.496 4.482 4.501 4.504 4.504 4.502 4.498 4.492
0.34 4.205 4.193 4.210 4.224 4.218 4.233 4.240 4.244 4.247 4.247 4.244
0.35 4.069 4.061 4.081 4.096 4.093 4.107 4.116 4.122 4.126 4.128 4.128
0.36 3.939 3.936 3.956 3.973 3.973 3.987 3.997 4.005 4.011 4.014 4.016
0.38 3.697 3.700 3.724 3.743 3.748 3.759 3.773 3.784 3.793 3.799 3.804
0.40 3.476 3.484 3.509 3.531 3.540 3.550 3.566 3.579 3.590 3.600 3.607
                       
0.42 3.273 3.285 3.312 3.335 3.347 3.356 3.374 3.389 3.403 3.414 3.423
0.44 3.087 3.103 3.130 3.155 3.168 3.176 3.196 3.213 3.228 3.241 3.253
0.45 3.000 3.017 3.045 3.069 3.084 3.092 3.112 3.130 3.146 3.160 3.172
0.46 2.916 2.934 2.962 2.988 3.003 3.010 3.031 3.049 3.066 3.081 3.094
0.48 2.759 2.779 2.807 2.833 2.850 2.856 2.878 2.897 2.915 2.931 2.945
0.50 2.614 2.636 2.664 2.690 2.709 2.714 2.736 2.756 2.775 2.791 2.807
                       
0.55 2.299 2.324 2.351 2.376 2.397 2.400 2.423 2.444 2.463 2.481 2.498
0.60 2.040 2.065 2.091 2.115 2.137 2.138 2.160 2.181 2.201 2.220 2.237
0.65 1.823 1.848 1.872 1.895 1.917 1.917 1.939 1.959 1.978 1.997 2.014
0.70 1.639 1.664 1.686 1.708 1.730 1.729 1.749 1.769 1.788 1.806 1.823
0.80 1.347 1.369 1.389 1.408 1.428 1.427 1.445 1.463 1.480 1.497 1.513
0.90 1.125 1.144 1.162 1.179 1.197 1.196 1.212 1.228 1.244 1.260 1.274
1.00 0.951 0.968 0.984 0.999 1.015 1.014 1.029 1.044 1.058 1.072 1.086
                       
1.10 0.813 0.827 0.841 0.855 0.869 0.869 0.882 0.895 0.908 0.921 0.934
1.20 0.702 0.714 0.727 0.739 0.751 0.751 0.763 0.775 0.787 0.798 0.810
1.30 0.612 0.623 0.634 0.644 0.655 0.655 0.666 0.676 0.687 0.697 0.708
1.40 0.539 0.548 0.557 0.567 0.576 0.576 0.585 0.595 0.604 0.613 0.623
1.50 0.478 0.486 0.494 0.502 0.510 0.510 0.519 0.527 0.535 0.544 0.552
                       
1.60 0.428 0.435 0.442 0.449 0.456 0.456 0.463 0.470 0.478 0.485 0.492
1.70 0.386 0.392 0.398 0.404 0.410 0.410 0.416 0.423 0.429 0.436 0.442
1.80 0.350 0.355 0.360 0.366 0.371 0.371 0.377 0.382 0.388 0.394 0.399
1.90 0.319 0.324 0.328 0.333 0.338 0.338 0.343 0.348 0.353 0.358 0.363
2.00 0.292 0.296 0.301 0.305 0.309 0.309 0.313 0.318 0.322 0.327 0.331

Element Tm3+ Yb2+ Yb3+ Lu3+ Hf4+ Ta5+ W6+ Os4+ Ir3+ Ir4+ Pt2+
Z 69 70 70 71 72 73 74 76 77 77 78
Method *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS
(sin [\theta])/λ (Å−1)                      
0.00                      
0.01                      
0.02                      
0.03                      
0.04 50.67 36.30 50.58 50.50 64.91 79.42 94.00 65.56 51.44 65.65 37.41
0.05 34.47 25.49 34.40 34.32 43.35 52.47 61.68 44.00 35.25 44.09 26.60
                       
0.06 25.67 19.61 25.59 25.52 31.63 37.84 44.11 32.26 26.43 32.36 20.68
0.07 20.34 16.03 20.27 20.19 24.54 28.99 33.51 25.17 21.09 25.26 17.09
0.08 16.86 13.68 16.79 16.72 19.93 23.24 26.62 20.55 17.60 20.64 14.72
0.09 14.46 12.05 14.39 14.32 16.76 19.29 21.89 17.36 15.18 17.45 13.06
0.10 12.72 10.86 12.65 12.59 14.47 16.45 18.50 15.06 13.42 15.15 11.84
                       
0.11 11.42 9.95 11.35 11.29 12.77 14.34 15.98 13.34 12.10 13.43 10.91
0.12 10.406 9.243 10.343 10.282 11.463 12.727 14.051 12.019 11.071 12.108 10.170
0.13 9.603 8.669 9.542 9.484 10.432 11.460 12.545 10.971 10.248 11.061 9.567
0.14 8.950 8.191 8.891 8.835 9.600 10.443 11.341 10.122 9.571 10.211 9.058
0.15 8.405 7.788 8.349 8.296 8.918 9.613 10.361 9.421 9.006 9.510 8.623
                       
0.16 7.943 7.436 7.890 7.839 8.348 8.924 9.550 8.833 8.523 8.919 8.241
0.17 7.545 7.128 7.495 7.447 7.863 8.343 8.870 8.330 8.104 8.415 7.902
0.18 7.196 6.852 7.150 7.104 7.445 7.847 8.292 7.895 7.734 7.978 7.595
0.19 6.888 6.601 6.843 6.801 7.081 7.418 7.795 7.512 7.404 7.594 7.314
0.20 6.610 6.372 6.569 6.529 6.760 7.042 7.364 7.172 7.107 7.253 7.055
                       
0.22 6.128 5.962 6.093 6.058 6.214 6.415 6.650 6.591 6.585 6.668 6.587
0.24 5.717 5.601 5.688 5.659 5.765 5.907 6.080 6.107 6.138 6.181 6.173
0.25 5.532 5.434 5.505 5.479 5.566 5.687 5.836 5.893 5.936 5.965 5.981
0.26 5.358 5.276 5.334 5.310 5.382 5.485 5.613 5.693 5.745 5.764 5.799
0.28 5.038 4.980 5.019 5.000 5.049 5.124 5.220 5.331 5.395 5.398 5.458
0.30 4.748 4.708 4.734 4.720 4.754 4.809 4.882 5.009 5.078 5.072 5.145
                       
0.32 4.484 4.456 4.474 4.464 4.489 4.530 4.586 4.719 4.789 4.779 4.857
0.34 4.240 4.221 4.234 4.228 4.247 4.279 4.323 4.456 4.524 4.512 4.590
0.35 4.126 4.110 4.122 4.117 4.134 4.162 4.201 4.333 4.400 4.387 4.464
0.36 4.015 4.003 4.013 4.010 4.025 4.051 4.086 4.215 4.280 4.267 4.343
0.38 3.806 3.800 3.807 3.807 3.821 3.843 3.872 3.994 4.055 4.042 4.114
0.40 3.612 3.609 3.616 3.618 3.632 3.650 3.675 3.789 3.845 3.834 3.900
                       
0.42 3.431 3.432 3.437 3.442 3.455 3.473 3.495 3.599 3.651 3.641 3.702
0.44 3.262 3.266 3.271 3.277 3.291 3.307 3.327 3.423 3.471 3.462 3.518
0.45 3.182 3.187 3.191 3.199 3.213 3.229 3.248 3.340 3.385 3.377 3.430
0.46 3.105 3.110 3.115 3.123 3.137 3.153 3.172 3.259 3.303 3.295 3.346
0.48 2.958 2.965 2.969 2.979 2.993 3.009 3.027 3.106 3.146 3.140 3.186
0.50 2.820 2.829 2.833 2.844 2.859 2.875 2.892 2.963 3.000 2.995 3.036
                       
0.55 2.514 2.526 2.528 2.541 2.557 2.573 2.590 2.646 2.675 2.672 2.704
0.60 2.253 2.267 2.269 2.283 2.299 2.315 2.331 2.375 2.399 2.398 2.423
0.65 2.031 2.046 2.047 2.061 2.077 2.092 2.108 2.144 2.164 2.164 2.184
0.70 1.839 1.855 1.855 1.870 1.885 1.900 1.914 1.945 1.962 1.962 1.979
0.80 1.529 1.544 1.544 1.558 1.572 1.585 1.598 1.623 1.636 1.636 1.649
0.90 1.289 1.304 1.303 1.317 1.329 1.341 1.353 1.375 1.386 1.386 1.397
1.00 1.099 1.113 1.112 1.125 1.137 1.148 1.159 1.179 1.189 1.189 1.199
                       
1.10 0.946 0.959 0.958 0.970 0.981 0.992 1.002 1.021 1.031 1.031 1.040
1.20 0.821 0.833 0.832 0.843 0.854 0.864 0.873 0.892 0.901 0.901 0.909
1.30 0.718 0.728 0.728 0.738 0.748 0.757 0.766 0.784 0.792 0.792 0.800
1.40 0.632 0.641 0.641 0.650 0.659 0.668 0.677 0.693 0.701 0.701 0.709
1.50 0.560 0.569 0.569 0.577 0.585 0.593 0.601 0.616 0.624 0.624 0.631
                       
1.60 0.500 0.507 0.507 0.515 0.522 0.529 0.537 0.551 0.558 0.558 0.565
1.70 0.449 0.455 0.455 0.462 0.469 0.475 0.482 0.495 0.502 0.502 0.508
1.80 0.405 0.411 0.411 0.417 0.423 0.429 0.435 0.447 0.453 0.453 0.459
1.90 0.368 0.373 0.373 0.379 0.384 0.389 0.395 0.405 0.411 0.411 0.416
2.00 0.336 0.341 0.341 0.345 0.350 0.355 0.360 0.370 0.374 0.374 0.379

Element Pt4+ Au1+ Au3+ Hg1+ Hg2+ Tl1+ Tl3+ Pb2+ Pb4+ Bi3+ Bi5+
Z 78 79 79 80 80 81 81 82 82 83 83
Method *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS *DS
(sin [\theta])/λ (Å−1)                      
0.00                      
0.01                      
0.02                      
0.03                      
0.04 65.73 23.52 51.50 23.84 37.35 24.11 51.46 37.98 65.83 52.12 80.28
0.05 44.16 18.07 35.32 18.38 26.53 18.65 35.29 27.15 44.27 35.91 53.34
                       
0.06 32.42 15.05 26.49 15.36 20.63 15.62 26.48 21.23 32.54 27.09 38.69
0.07 25.33 13.19 21.15 13.49 17.04 13.74 21.15 17.62 25.45 21.74 29.85
0.08 20.71 11.94 17.67 12.23 14.67 12.47 17.67 15.24 20.83 18.23 24.09
0.09 17.52 11.04 15.25 11.31 13.03 11.54 15.26 13.57 17.65 15.81 20.13
0.10 15.22 10.35 13.50 10.60 11.82 10.83 13.51 12.34 15.35 14.04 17.29
                       
0.11 13.50 9.80 12.18 10.04 10.89 10.26 12.20 11.40 13.64 12.70 15.17
0.12 12.178 9.341 11.153 9.565 10.165 9.775 11.178 10.642 12.316 11.663 13.539
0.13 11.130 8.946 10.331 9.156 9.569 9.356 10.362 10.024 11.272 10.827 12.262
0.14 10.281 8.599 9.660 8.795 9.072 8.983 9.696 9.500 10.427 10.138 11.234
0.15 9.579 8.285 9.097 8.466 8.644 8.645 9.139 9.049 9.730 9.559 10.392
                       
0.16 8.988 7.997 8.617 8.166 8.271 8.335 8.664 8.653 9.144 9.061 9.690
0.17 8.484 7.731 8.201 7.887 7.940 8.045 8.253 8.297 8.644 8.629 9.097
0.18 8.047 7.480 7.834 7.624 7.640 7.773 7.890 7.975 8.211 8.245 8.587
0.19 7.662 7.243 7.506 7.376 7.367 7.516 7.567 7.679 7.830 7.901 8.144
0.20 7.320 7.018 7.211 7.141 7.114 7.272 7.275 7.406 7.492 7.589 7.755
                       
0.22 6.735 6.598 6.693 6.703 6.658 6.817 6.765 6.912 6.913 7.040 7.100
0.24 6.246 6.210 6.247 6.301 6.253 6.400 6.326 6.472 6.429 6.566 6.564
0.25 6.029 6.028 6.046 6.112 6.065 6.205 6.127 6.268 6.214 6.351 6.329
0.26 5.827 5.852 5.855 5.930 5.886 6.017 5.939 6.075 6.014 6.148 6.111
0.28 5.459 5.519 5.505 5.587 5.550 5.664 5.591 5.714 5.647 5.773 5.721
0.30 5.131 5.209 5.186 5.270 5.240 5.337 5.275 5.383 5.320 5.433 5.377
                       
0.32 4.385 4.921 4.895 4.975 4.953 5.035 4.985 5.078 5.023 5.123 5.069
0.34 4.565 4.652 4.627 4.702 4.686 4.756 4.718 4.797 4.751 4.838 4.790
0.35 4.439 4.525 4.501 4.573 4.560 4.624 4.591 4.664 4.623 4.704 4.660
0.36 4.318 4.402 4.379 4.448 4.437 4.497 4.469 4.536 4.501 4.576 4.535
0.38 4.090 4.170 4.149 4.212 4.206 4.257 4.238 4.295 4.269 4.333 4.300
0.40 3.880 3.953 3.936 3.993 3.990 4.034 4.022 4.072 4.053 4.108 4.083
                       
0.42 3.684 3.752 3.737 3.789 3.788 3.827 3.821 3.864 3.851 3.899 3.881
0.44 3.502 3.564 3.552 3.599 3.600 3.635 3.633 3.671 3.663 3.705 3.692
0.45 3.416 3.475 3.464 3.509 3.511 3.544 3.544 3.579 3.574 3.613 3.603
0.46 3.333 3.389 3.379 3.422 3.424 3.456 3.457 3.491 3.488 3.524 3.516
0.48 3.176 3.225 3.218 3.258 3.260 3.290 3.293 3.323 3.323 3.355 3.351
0.50 3.028 3.073 3.068 3.104 3.107 3.134 3.139 3.166 3.168 3.197 3.197
                       
0.55 2.700 2.735 2.733 2.762 2.765 2.790 2.795 2.819 2.823 2.847 2.850
0.60 2.422 2.449 2.448 2.474 2.476 2.498 2.502 2.524 2.528 2.549 2.554
0.96 2.184 2.206 2.206 2.227 2.229 2.249 2.252 2.272 2.276 2.295 2.300
0.70 1.980 1.998 1.998 2.017 2.017 2.036 2.038 2.057 2.059 2.077 2.080
0.80 1.650 1.663 1.663 1.678 1.678 1.693 1.694 1.709 1.710 1.726 1.727
0.90 1.397 1.408 1.408 1.420 1.420 1.432 1.432 1.445 1.445 1.458 1.458
1.00 1.199 1.208 1.209 1.218 1.218 1.229 1.228 1.239 1.239 1.250 1.249
                       
1.10 1.040 1.048 1.048 1.057 1.057 1.066 1.066 1.075 1.075 1.084 1.084
1.20 0.909 0.917 0.917 0.926 0.925 0.934 0.933 0.942 0.941 0.950 0.949
1.30 0.800 0.808 0.808 0.816 0.816 0.824 0.824 0.831 0.831 0.838 0.838
1.40 0.709 0.717 0.716 0.724 0.724 0.731 0.731 0.738 0.738 0.745 0.745
1.50 0.631 0.638 0.638 0.645 0.645 0.652 0.652 0.659 0.659 0.665 0.665
                       
1.60 0.565 0.572 0.572 0.578 0.578 0.585 0.585 0.591 0.591 0.597 0.597
1.70 0.508 0.514 0.514 0.520 0.520 0.526 0.527 0.532 0.533 0.538 0.538
1.80 0.459 0.465 0.465 0.470 0.470 0.476 0.476 0.482 0.482 0.487 0.487
1.90 0.416 0.422 0.422 0.427 0.427 0.432 0.432 0.438 0.438 0.443 0.443
2.00 0.379 0.384 0.384 0.389 0.389 0.394 0.394 0.399 0.399 0.404 0.404

Element Ra2+ Ac3+ U3+ U4+ U6+
Z 88 89 92 92 92
Method *DS *DS *DS *DS *DS
(sin [\theta])λ (Å−1)          
0.00          
0.01          
0.02          
0.03          
0.04 40.04 54.00 54.02 68.15 96.83
0.05 29.19 37.78 37.81 46.56 64.49
           
0.06 23.23 28.91 28.95 34.80 46.89
0.07 19.57 23.53 23.57 27.67 36.26
0.08 17.14 19.98 20.03 23.01 29.33
0.09 15.42 17.51 17.57 19.78 24.56
0.10 14.12 15.70 15.76 17.44 21.12
           
0.11 13.11 14.31 14.39 15.67 18.55
0.12 12.291 13.217 13.300 14.296 16.573
0.13 11.602 12.324 12.416 13.192 15.010
0.14 11.008 11.577 11.679 12.287 13.749
0.15 10.486 10.939 11.050 11.528 12.709
           
0.16 10.018 10.382 10.503 10.879 11.837
0.17 9.592 9.889 10.018 10.314 11.093
0.18 9.200 9.446 9.583 9.816 10.451
0.19 8.836 9.042 9.188 9.371 9.889
0.20 8.495 8.671 8.824 8.967 9.391
           
0.22 7.873 8.008 8.174 8.261 8.544
0.24 7.315 7.427 7.602 7.655 7.843
0.25 7.057 7.161 7.340 7.380 7.534
0.26 6.811 6.909 7.091 7.122 7.247
0.28 6.355 6.444 6.629 6.647 6.729
0.30 5.940 6.022 6.208 6.219 6.273
           
0.32 5.563 5.639 5.824 5.830 5.865
0.34 5.219 5.291 5.472 5.475 5.497
0.35 5.059 5.128 5.307 5.309 5.327
0.36 4.906 4.973 5.149 5.151 5.164
0.38 4.621 4.683 4.853 4.853 4.861
0.40 4.360 4.417 4.580 4.580 4.584
           
0.42 4.122 4.174 4.329 4.328 4.330
0.44 3.904 3.951 4.098 4.097 4.096
0.45 3.801 3.847 3.989 3.988 3.987
0.46 3.703 3.747 3.885 3.883 3.881
0.48 3.518 3.558 3.688 3.686 3.683
0.50 3.348 3.385 3.506 3.504 3.500
           
0.55 2.975 3.005 3.107 3.106 3.100
0.60 2.664 2.689 2.776 2.774 2.768
0.65 2.400 2.421 2.496 2.494 2.489
0.70 2.174 2.193 2.258 2.256 2.252
0.80 1.808 1.824 1.875 1.874 1.872
0.90 1.527 1.541 1.583 1.582 1.582
1.00 1.307 1.319 1.354 1.354 1.354
           
1.10 1.132 1.142 1.171 1.172 1.172
1.20 0.991 0.999 1.024 1.025 1.025
1.30 0.874 0.882 0.904 0.904 0.905
1.40 0.778 0.784 0.804 0.804 0.804
1.50 0.696 0.702 0.720 0.720 0.720
           
1.60 0.626 0.632 0.648 0.648 0.648
1.70 0.566 0.571 0.586 0.586 0.586
1.80 0.513 0.518 0.533 0.533 0.533
1.90 0.467 0.472 0.486 0.486 0.486
2.00 0.427 0.431 0.444 0.444 0.444