#F f0_WaasKirf.dat #UT Elastic Photon-Atom Scattering, relativistic form factors. #UF0TYPE PARAMETRIZATION ; TABLE OR PARAMETRIZATION? #UIDL xf0 #C This file has been created using f0_WaasKirf.tcl #D Thu Dec 5 09:55:22 CET 2013 #C This file belongs to the DABAX library. More information on #C DABAX can be found at: #C http://www.esrf.fr/computing/scientific/dabax #UD Elastic Photon-Atom Scattering, relativistic form factors. #UD #UD This data set contains data calculated by D. Waasmaier & A. Kirfel. #UD The original data is available from : #UD ftp://wrzx02.rz.uni-wuerzburg.de/pub/local/Crystallography #UD These data, computed for neutral atoms and ions are valid for the full #UD range of sin(theta)/lambda from 0.0 to 6.0 A-1.This table have been #UD developped from fits of o linear combination of five Gaussians to the #UD values of the scattering factors tabulated in "International tables for #UD Crystallography (1992) [Vol. C. Dordrecht: Kluwer Academic Publishers]. #UD For a detailed discussion of the underlying validity of the #UD information contained in these directories see, for example: #UD #UD New Analytical Scattering Factor Functions for Free Atoms #UD and Ions for Free Atoms and Ions #UD D. Waasmaier & A. Kirfel #UD Acta Cryst. (1995). A51, 416-413 #UD #UD fo the non-dispersive part of the atomic scattering factor is a #UD function of the selected element and of sin(theta)/lambda, where #UD lambda is the photon wavelengh and theta is incident angle. #UD This function can be approximated by a function: #UD #UD f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ] #UD i=1,5 #UD #UD where k = sin(theta) / lambda and c, a_i and b_i #UD are the coefficients tabulated in this file (in columns: #UD a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 #C #C The original README fime from D. Waasmaier & A. Kirfel follows here : #C #UO April, 1995 #UO #UO This directory contains the results of the publication: #UO #UO New Analytical Scattering Factor Functions for Free Atoms and Ions #UO D. Waasmaier & A. Kirfel #UO Acta Cryst. (1995). A51, 416-413 #UO #UO - *.zip: A detailed compilation of all relevant results (one page per #UO atom or ion) has been prepared in form of an 'atlas'. This atlas is #UO stored in the postscript-files #UO sfac10.zip - sfac98.zip for atoms with increasing atom number and #UO sfaci1.zip - sfaci6.zip for ions, again with increasing atom number. #UO #UO - abstract.ps contains an extract of the publication refering to the atlas. #UO #UO - sfac.dat contains the new parameters ai, bi and c for all atoms and ions. #UO #UO Fitparameters of all atoms/ions (with the excepetion of O1-) #UO from publication "New Analytical Scattering Factor Functions for #UO Free Atoms and Ions", D. Waasmaier & A. Kirfel, Acta Cryst. A 95 #UO #UO Fit for O1- based on the tabulated values of Table 2 (D.REZ, #UO P.REZ & I.GRANT, Acta Cryst. (1994), A50, 481-497). #UO #UO Fits for all other atoms/ions based on the tabulated values #UO of Table 6.1.1.1 (atoms) and Table 6.1.1.3 (ions) #UO (International Tables for Crystallography, Vol. C, 1992). #S 1 H #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 0.413048 0.294953 0.187491 0.080701 0.023736 0.000049 15.569946 32.398468 5.711404 61.889874 1.334118 #S 1 H1- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 0.702260 0.763666 0.248678 0.261323 0.023017 0.000425 23.945604 74.897919 6.773289 233.583450 1.337531 #S 2 He #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 0.732354 0.753896 0.283819 0.190003 0.039139 0.000487 11.553918 4.595831 1.546299 26.463964 0.377523 #S 3 Li #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 0.974637 0.158472 0.811855 0.262416 0.790108 0.002542 4.334946 0.342451 97.102966 201.363831 1.409234 #S 3 Li1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 0.432724 0.549257 0.376575 -0.336481 0.976060 0.001764 0.260367 1.042836 7.885294 0.260368 3.042539 #S 4 Be #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 1.533712 0.638283 0.601052 0.106139 1.118414 0.002511 42.662079 0.595420 99.106499 0.151340 1.843093 #S 4 Be2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.055430 -2.372617 1.044914 0.544233 0.381737 -0.653773 0.001226 0.001227 1.542106 0.456279 4.047479 #S 5 B #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 2.085185 1.064580 1.062788 0.140515 0.641784 0.003823 23.494068 1.137894 61.238976 0.114886 0.399036 #S 6 C #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 2.657506 1.078079 1.490909 -4.241070 0.713791 4.297983 14.780758 0.776775 42.086842 -0.000294 0.239535 #S 6 Cval #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 1.258489 0.728215 1.119856 2.168133 0.705239 0.019722 10.683769 0.208177 0.836097 24.603704 58.954273 #S 7 N #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 11.893780 3.277479 1.858092 0.858927 0.912985 -11.804902 0.000158 10.232723 30.344690 0.656065 0.217287 #S 8 O #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 2.960427 2.508818 0.637853 0.722838 1.142756 0.027014 14.182259 5.936858 0.112726 34.958481 0.390240 #S 8 O1- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.106934 3.235142 1.148886 0.783981 0.676953 0.046136 19.868080 6.960252 0.170043 65.693512 0.630757 #S 8 O2- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.990247 2.300563 0.607200 1.907882 1.167080 0.025429 16.639956 5.636819 0.108493 47.299709 0.379984 #S 9 F #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.511943 2.772244 0.678385 0.915159 1.089261 0.032557 10.687859 4.380466 0.093982 27.255203 0.313066 #S 9 F1- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 0.457649 3.841561 1.432771 0.801876 3.395041 0.069525 0.917243 5.507803 0.164955 51.076206 15.821679 #S 10 Ne #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 4.183749 2.905726 0.520513 1.135641 1.228065 0.025576 8.175457 3.252536 0.063295 21.813910 0.224952 #S 11 Na #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 4.910127 3.081783 1.262067 1.098938 0.560991 0.079712 3.281434 9.119178 0.102763 132.013947 0.405878 #S 11 Na1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.148690 4.073989 0.767888 0.995612 0.968249 0.045300 2.594987 6.046925 0.070139 14.122657 0.217037 #S 12 Mg #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 4.708971 1.194814 1.558157 1.170413 3.239403 0.126842 4.875207 108.506081 0.111516 48.292408 1.928171 #S 12 Mg2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.062918 4.135106 0.853742 1.036792 0.852520 0.058851 2.015803 4.417941 0.065307 9.669710 0.187818 #S 13 Al #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 4.730796 2.313951 1.541980 1.117564 3.154754 0.139509 3.628931 43.051167 0.095960 108.932388 1.555918 #S 13 Al3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 4.132015 0.912049 1.102425 0.614876 3.219136 0.019397 3.528641 7.378344 0.133708 0.039065 1.644728 #S 14 Si #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 5.275329 3.191038 1.511514 1.356849 2.519114 0.145073 2.631338 33.730728 0.081119 86.288643 1.170087 #S 14 Siva #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 2.879033 3.072960 1.515981 1.390030 4.995051 0.146030 1.239713 38.706276 0.081481 93.616333 2.770293 #S 14 Si4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 3.676722 3.828496 1.258033 0.419024 0.720421 0.097266 1.446851 3.013144 0.064397 0.206254 5.970222 #S 15 P #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 1.950541 4.146930 1.494560 1.522042 5.729711 0.155233 0.908139 27.044952 0.071280 67.520187 1.981173 #S 16 S #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.372157 5.154568 1.473732 1.635073 1.209372 0.154722 1.514347 22.092527 0.061373 55.445175 0.646925 #S 17 Cl #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 1.446071 6.870609 6.151801 1.750347 0.634168 0.146773 0.052357 1.193165 18.343416 46.398396 0.401005 #S 17 Cl1- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 1.061802 7.139886 6.524271 2.355626 35.829403 -34.916603 0.144727 1.171795 19.467655 60.320301 0.000436 #S 18 Ar #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.188004 6.638454 0.454180 1.929593 1.523654 0.265954 0.956221 15.339877 15.339862 39.043823 0.062409 #S 19 K #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 8.163991 7.146945 1.070140 0.877316 1.486434 0.253614 12.816323 0.808945 210.327011 39.597652 0.052821 #S 19 K1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 -17.609339 1.494873 7.150305 10.899569 15.808228 0.257164 18.840979 0.053453 0.812940 22.264105 14.351593 #S 20 Ca #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 8.593655 1.477324 1.436254 1.182839 7.113258 0.196255 10.460644 0.041891 81.390381 169.847839 0.688098 #S 20 Ca2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 8.501441 12.880483 9.765095 7.156669 0.711160 -21.013187 10.525848 -0.004033 0.010692 0.684443 27.231771 #S 21 Sc #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 1.476566 1.487278 1.600187 9.177463 7.099750 0.157765 53.131023 0.035325 137.319489 9.098031 0.602102 #S 21 Sc3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.104348 1.511488 -53.669773 38.404816 24.532240 0.118642 0.601957 0.033386 12.572138 10.859736 14.125230 #S 22 Ti #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 9.818524 1.522646 1.703101 1.768774 7.082555 0.102473 8.001879 0.029763 39.885422 120.157997 0.532405 #S 22 Ti2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.040119 1.496285 9.657304 0.006534 1.649561 0.150362 0.537072 0.031914 8.009958 201.800293 24.039482 #S 22 Ti3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 36.587933 7.230255 -9.086077 2.084594 17.294008 -35.111282 0.000681 0.522262 5.262317 15.881716 6.149805 #S 22 Ti4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 45.355537 7.092900 7.483858 -43.498817 1.678915 -0.110628 9.252186 0.523046 13.082852 10.193876 0.023064 #S 23 V #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 10.473575 1.547881 1.986381 1.865616 7.056250 0.067744 7.081940 0.026040 31.909672 108.022842 0.474882 #S 23 V2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.754356 2.064100 2.576998 2.011404 7.126177 -0.533379 7.066315 0.014993 7.066308 22.055786 0.467568 #S 23 V3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 9.958480 1.596350 1.483442 -10.846044 17.332867 0.474921 6.763041 0.056895 17.750029 0.328826 0.388013 #S 23 V5+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.575018 8.448095 1.612040 -9.721855 1.534029 0.552676 0.682708 5.566640 10.527077 0.907961 0.066667 #S 24 Cr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 11.007069 1.555477 2.985293 1.347855 7.034779 0.065510 6.366281 0.023987 23.244839 105.774498 0.429369 #S 24 Cr2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 10.598877 1.565858 2.728280 0.098064 6.959321 0.049870 6.151846 0.023519 17.432816 54.002388 0.426301 #S 24 Cr3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.989310 1.765079 2.627125 1.829380 6.980908 -0.192123 6.068867 0.018342 6.068887 16.309284 0.420864 #S 25 Mn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 11.709542 1.733414 2.673141 2.023368 7.003180 -0.147293 5.597120 0.017800 21.788420 89.517914 0.383054 #S 25 Mn2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 11.287712 26.042414 3.058096 0.090258 7.088306 -24.566132 5.506225 0.000774 16.158575 54.766354 0.375580 #S 25 Mn3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.926972 2.081342 11.128379 2.375107 -0.419287 -0.093713 0.378315 0.015054 5.379957 14.429586 0.004939 #S 25 Mn4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 12.409131 7.466993 1.809947 -12.138477 10.780248 0.672146 0.300400 0.112814 12.520756 0.168653 5.173237 #S 26 Fe #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 12.311098 1.876623 3.066177 2.070451 6.975185 -0.304931 5.009415 0.014461 18.743040 82.767876 0.346506 #S 26 Fe2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 11.776765 11.165097 3.533495 0.165345 7.036932 -9.676919 4.912232 0.001748 14.166556 42.381958 0.341324 #S 26 Fe3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 9.721638 63.403847 2.141347 2.629274 7.033846 -61.930725 4.869297 0.000293 4.867602 13.539076 0.338520 #S 27 Co #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 12.914510 2.481908 3.466894 2.106351 6.960892 -0.936572 4.507138 0.009126 16.438129 76.987320 0.314418 #S 27 Co2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.993840 26.285812 12.254289 0.246114 4.017407 -24.796852 0.310779 0.000684 4.400528 35.741447 12.536393 #S 27 Co3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.861739 2.678570 12.281889 3.501741 -0.179384 -1.147345 0.309794 0.008142 4.331703 11.914167 11.914167 #S 28 Ni #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 13.521865 6.947285 3.866028 2.135900 4.284731 -2.762697 4.077277 0.286763 14.622634 71.966080 0.004437 #S 28 Ni2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 12.519017 37.832058 4.387257 0.661552 6.949072 -36.344471 3.933053 0.000442 10.449184 23.860998 0.283723 #S 28 Ni3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 13.579366 1.902844 12.859268 3.811005 -6.838595 -0.317618 0.313140 0.012621 3.906407 10.894311 0.344379 #S 29 Cu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 14.014192 4.784577 5.056806 1.457971 6.932996 -3.254477 3.738280 0.003744 13.034982 72.554794 0.265666 #S 29 Cu1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 12.960763 16.342150 1.110102 5.520682 6.915452 -14.849320 3.576010 0.000975 29.523218 10.114283 0.261326 #S 29 Cu2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 11.895569 16.344978 5.799817 1.048804 6.789088 -14.878383 3.378519 0.000924 8.133653 20.526524 0.254741 #S 30 Zn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 14.741002 6.907748 4.642337 2.191766 38.424042 -36.915829 3.388232 0.243315 11.903689 63.312130 0.000397 #S 30 Zn2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 13.340772 10.428857 5.544489 0.762295 6.869172 -8.945248 3.215913 0.001413 8.542680 21.891756 0.239215 #S 31 Ga #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.758946 6.841123 4.121016 2.714681 2.395246 -0.847395 3.121754 0.226057 12.482196 66.203621 0.007238 #S 31 Ga3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 13.123875 35.288189 6.126979 0.611551 6.724807 -33.875122 2.809960 0.000323 6.831534 16.784311 0.212002 #S 32 Ge #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.540613 1.567900 3.727829 3.345098 6.785079 0.018726 2.866618 0.012198 13.432163 58.866047 0.210974 #S 32 Ge4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.876636 6.779091 9.969591 3.135857 0.152389 1.086542 2.025174 0.176650 3.573822 7.685848 16.677574 #S 33 As #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.025642 4.503441 3.715904 3.937200 6.790175 -2.984117 2.597739 0.003012 14.272119 50.437996 0.193015 #S 34 Se #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.354071 4.653248 4.259489 4.136455 6.749163 -3.160982 2.349787 0.002550 15.579460 45.181202 0.177432 #S 35 Br #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.550570 5.411882 3.937180 3.880645 6.707793 -2.492088 2.119226 16.557184 0.002481 42.164009 0.162121 #S 35 Br1- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.714310 6.466926 6.947385 4.402674 -0.697279 1.152674 2.122554 19.050768 0.152708 58.690361 58.690372 #S 36 Kr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.655279 6.848105 4.171004 3.446760 6.685200 -2.810592 1.908231 16.606236 0.001598 39.917473 0.146896 #S 37 Rb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 8.123134 2.138042 6.761702 1.156051 17.679546 1.139548 15.142385 33.542667 0.129372 224.132507 1.713368 #S 37 Rb1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.684320 7.761588 6.680874 2.668883 0.070974 1.133263 1.710209 14.919863 0.128542 31.654478 0.128543 #S 38 Sr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.730219 9.795867 6.099763 2.620025 0.600053 1.140251 1.563060 14.310868 0.120574 135.771317 0.120574 #S 38 Sr2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.694973 1.275762 6.154252 9.234786 0.515995 1.125309 1.550888 30.133041 0.118774 13.821799 0.118774 #S 39 Y #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.792040 10.253252 5.714949 3.170516 0.918251 1.131787 1.429691 13.132816 0.112173 108.197029 0.112173 #S 40 Zr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.859772 10.911038 5.821115 3.512513 0.746965 1.124859 1.310692 12.319285 0.104353 91.777542 0.104353 #S 40 Zr4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.802956 17.699253 10.650647 -0.248108 0.250338 0.827902 0.096228 1.296127 11.240715 -0.219259 -0.219021 #S 41 Nb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.958399 12.063054 5.007015 3.287667 1.531019 1.123452 1.211590 12.246687 0.098615 75.011948 0.098615 #S 41 Nb3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.714323 1.675213 7.483963 8.322464 11.143573 -8.339573 1.172419 30.102791 0.080255 -0.002983 10.456687 #S 41 Nb5+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.580206 7.633277 10.793497 0.180884 67.837921 -68.024780 1.165852 0.078558 9.507652 31.621656 -0.000438 #S 42 Mo #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.236218 17.987711 12.973127 3.451426 0.210899 1.108770 0.090780 1.108310 11.468720 66.684151 0.090780 #S 42 Mo3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.447050 17.778122 11.886068 1.997905 1.789626 -1.898764 0.072000 1.073145 9.834720 28.221746 -0.011674 #S 42 Mo5+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 7.929879 17.667669 11.515987 0.500402 77.444084 -78.056595 0.068856 1.068064 9.046229 26.558945 -0.000473 #S 42 Mo6+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 34.757683 9.653037 6.584769 -18.628115 2.490594 1.141916 1.301770 7.123843 0.094097 1.617443 12.335434 #S 43 Tc #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.840963 3.428236 1.373012 12.947364 6.335469 1.074784 1.005729 41.901382 119.320541 9.781542 0.083391 #S 44 Ru #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.271624 17.906738 14.123269 3.746008 0.908235 1.043992 0.077040 0.928222 9.555345 35.860680 123.552246 #S 44 Ru3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.894758 13.579529 10.729251 2.474095 48.227997 -51.905243 0.902827 8.740579 0.045125 24.764954 -0.001699 #S 44 Ru4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.845776 13.455084 10.229087 1.653524 14.059795 -17.241762 0.901070 8.482392 0.045972 23.015272 -0.004889 #S 45 Rh #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.216648 17.919739 3.854252 0.840326 15.173498 0.995452 0.070789 0.856121 33.889484 121.686691 9.029517 #S 45 Rh3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.758621 14.569813 5.298320 2.533579 0.879753 0.960843 0.841779 8.319533 0.069050 23.709131 0.069050 #S 45 Rh4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.716188 14.446654 5.185801 1.703448 0.989992 0.959941 0.840572 8.100647 0.068995 22.357307 0.068995 #S 46 Pd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.121511 4.784063 16.631683 4.318258 13.246773 0.883099 0.062549 0.784031 8.751391 34.489983 0.784031 #S 46 Pd2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.122282 15.651012 3.513508 9.060790 8.771199 0.879336 0.062424 8.018296 24.784275 0.776457 0.776457 #S 46 Pd4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.152421 -96.069023 31.622141 81.578255 17.801403 0.915874 0.063951 11.090354 13.466152 9.758302 0.783014 #S 47 Ag #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.073874 17.155437 4.173344 0.852238 17.988686 0.756603 0.055333 7.896512 28.443739 110.376106 0.716809 #S 47 Ag1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.091192 4.019526 16.948174 4.258638 13.889437 0.785127 0.056305 0.719340 7.758938 27.368349 0.719340 #S 47 Ag2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.401808 48.699802 4.799859 -32.332523 16.356710 1.068247 0.068167 0.942270 20.639496 1.100365 6.883131 #S 48 Cd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.080986 18.019468 4.018197 1.303510 17.974669 0.603504 0.048990 7.273646 29.119284 95.831207 0.661231 #S 48 Cd2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.093711 43.909691 17.041306 -39.675117 17.958918 0.664795 0.050624 8.654143 15.621396 11.082067 0.667591 #S 49 In #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.196477 18.816183 4.050479 1.638929 17.962912 0.333097 0.042072 6.695665 31.009790 103.284348 0.610714 #S 49 In3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.206277 18.497746 3.078131 10.524613 7.401234 0.293677 0.041357 6.605563 18.792250 0.608082 0.608082 #S 50 Sn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.325171 6.281571 4.498866 1.856934 17.917318 0.119024 6.118104 0.036915 32.529045 95.037186 0.565651 #S 50 Sn2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.353672 4.770377 14.672025 4.235959 18.002131 -0.042519 0.034720 6.167891 6.167879 29.006456 0.561774 #S 50 Sn4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.445732 6.420892 4.562980 1.713385 18.033537 -0.172219 6.280898 0.033144 6.280899 17.983601 0.557980 #S 51 Sb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 5.394956 6.549570 19.650681 1.827820 17.867832 -0.290506 33.326523 0.030974 5.564929 87.130966 0.523992 #S 51 Sb3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 10.189171 57.461918 19.356573 4.862206 -45.394096 1.516108 0.089485 0.375256 5.357987 22.153736 0.297768 #S 51 Sb5+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.920622 6.647932 12.724075 1.555545 7.600591 -0.445371 0.522315 0.029487 5.718210 16.433775 5.718204 #S 52 Te #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 6.660302 6.940756 19.847015 1.557175 17.802427 -0.806668 33.031654 0.025750 5.065547 84.101616 0.487660 #S 53 I #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.884502 6.736593 8.110516 1.170953 17.548716 -0.448811 4.628591 0.027754 31.849096 84.406387 0.463550 #S 53 I1- #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 20.010330 17.835524 8.104130 2.231118 9.158548 -3.341004 4.565931 0.444266 32.430672 95.149040 0.014906 #S 54 Xe #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.978920 11.774945 9.332182 1.244749 17.737501 -6.065902 4.143356 0.010142 28.796200 75.280685 0.413616 #S 55 Cs #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.418674 8.314444 10.323193 1.383834 19.876251 -2.322802 0.399828 0.016872 25.605827 233.339676 3.826915 #S 55 Cs1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.939056 24.967621 10.375884 0.454243 17.660248 -19.394306 3.770511 0.004040 25.311275 76.537766 0.384730 #S 56 Ba #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.747343 17.368477 10.465718 2.592602 11.003653 -5.183497 3.481823 0.371224 21.226641 173.834274 0.010719 #S 56 Ba2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.750200 17.513683 10.884892 0.321585 65.149834 -59.618172 3.430748 0.361590 21.358307 70.309402 0.001418 #S 57 La #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.966019 27.329655 11.018425 3.086696 17.335455 -21.745489 3.197408 0.003446 19.955492 141.381973 0.341817 #S 57 La3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 19.688887 17.345703 11.356296 0.099418 82.358124 -76.846909 3.146211 0.339586 18.753832 90.345459 0.001072 #S 58 Ce #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.355122 43.988499 20.546650 3.130670 11.353665 -38.386017 0.328369 0.002047 3.088196 134.907654 18.832960 #S 58 Ce3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 26.593231 85.866432 -6.677695 12.111847 17.401903 -80.313423 3.280381 0.001012 4.313575 17.868504 0.326962 #S 58 Ce4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.457533 25.659941 11.691037 19.695251 -16.994749 -3.515096 0.311812 -0.003793 16.568687 2.886395 -0.008931 #S 59 Pr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 21.551311 17.161730 11.903859 2.679103 9.564197 -3.871068 2.995675 0.312491 17.716705 152.192825 0.010468 #S 59 Pr3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 20.879841 36.035797 12.135341 0.283103 17.167803 -30.500784 2.870897 0.002364 16.615236 53.909359 0.306993 #S 59 Pr4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.496082 21.538509 20.403114 12.062211 -7.492043 -9.016722 0.294457 -0.002742 2.772886 15.804613 -0.013556 #S 60 Nd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.331244 62.783924 12.160097 2.663483 22.239950 -57.189842 0.300269 0.001320 17.026001 148.748993 2.910268 #S 60 Nd3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.120077 56.038139 21.468307 10.000671 2.905866 -50.541992 0.291295 0.001421 2.743681 14.581367 22.485098 #S 61 Pm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.286388 51.560162 12.478557 2.675515 22.960947 -45.973682 0.286620 0.001550 16.223755 143.984512 2.796480 #S 61 Pm3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 22.221066 17.068142 12.805423 0.435687 52.238770 -46.767181 2.635767 0.277039 14.927315 45.768017 0.001455 #S 62 Sm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 23.700363 23.072214 12.777782 2.684217 17.204367 -17.452166 2.689539 0.003491 15.495437 139.862473 0.274536 #S 62 Sm3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.618565 19.538092 13.398946 -4.358811 24.490461 -9.714854 0.006001 0.306379 14.979594 0.748825 2.454492 #S 63 Eu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.186195 37.156837 13.103387 2.707246 24.419271 -31.586687 0.261678 0.001995 14.787360 134.816299 2.581883 #S 63 Eu2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 23.899035 31.657497 12.955752 1.700576 16.992199 -26.204315 2.467332 0.002230 13.625002 35.089481 0.253136 #S 63 Eu3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.758327 33.498665 24.067188 13.436883 -9.019134 -19.768026 0.244474 -0.003901 2.487526 14.568011 -0.015628 #S 64 Gd #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 24.898117 17.104952 13.222581 3.266152 48.995213 -43.505684 2.435028 0.246961 13.996325 110.863091 0.001383 #S 64 Gd3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 24.344999 16.945311 13.866931 0.481674 93.506378 -88.147179 2.333971 0.239215 12.982995 43.876347 0.000673 #S 65 Tb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 25.910013 32.344139 13.765117 2.751404 17.064405 -26.851971 2.373912 0.002034 13.481969 125.836510 0.236916 #S 65 Tb3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 24.878252 16.856016 13.663937 1.279671 39.271294 -33.950317 2.223301 0.227290 11.812528 29.910065 0.001527 #S 66 Dy #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 26.671785 88.687576 14.065445 2.768497 17.067781 -83.279831 2.282593 0.000665 12.920230 121.937187 0.225531 #S 66 Dy3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.864344 90.383461 13.675473 1.687078 25.540651 -85.150650 0.216275 0.000593 11.121207 26.250975 2.135930 #S 67 Ho #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 27.150190 16.999819 14.059334 3.386979 46.546471 -41.165253 2.169660 0.215414 12.213148 100.506783 0.001211 #S 67 Ho3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.837524 63.221336 13.703766 2.061602 26.202621 -58.026505 0.206873 0.000796 10.500283 24.031883 2.055060 #S 68 Er #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 28.174887 82.493271 14.624002 2.802756 17.018515 -77.135223 2.120995 0.000640 11.915256 114.529938 0.207519 #S 68 Er3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.810127 22.681061 13.864114 2.294506 26.864477 -17.513460 0.198293 0.002126 9.973341 22.836388 1.979442 #S 69 Tm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 28.925894 76.173798 14.904704 2.814812 16.998117 -70.839813 2.046203 0.000656 11.465375 111.411980 0.199376 #S 69 Tm3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.787500 15.350905 14.182357 2.299111 27.573771 -10.192087 0.190852 0.003036 9.602934 22.526880 1.912862 #S 70 Yb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 29.676760 65.624069 15.160854 2.830288 16.997850 -60.313812 1.977630 0.000720 11.044622 108.139153 0.192110 #S 70 Yb2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 28.443794 16.849527 14.165081 3.445311 28.308853 -23.214935 1.863896 0.183811 9.225469 23.691355 0.001463 #S 70 Yb3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 28.191629 16.828087 14.167848 2.744962 23.171774 -18.103676 1.842889 0.182788 9.045957 20.799847 0.001759 #S 71 Lu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 30.122866 15.099346 56.314899 3.540980 16.943729 -51.049416 1.883090 10.342764 0.000780 89.559250 0.183849 #S 71 Lu3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 28.828693 16.823227 14.247617 3.079559 25.647667 -20.626528 1.776641 0.175560 8.575531 19.693701 0.001453 #S 72 Hf #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 30.617033 15.145351 54.933548 4.096253 16.896156 -49.719837 1.795613 9.934469 0.000739 76.189705 0.175914 #S 72 Hf4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 29.267378 16.792543 14.785310 2.184128 23.791996 -18.820383 1.697911 0.168313 8.190025 18.277578 0.001431 #S 73 Ta #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.066359 15.341823 49.278297 4.577665 16.828321 -44.119026 1.708732 9.618455 0.000760 66.346199 0.168002 #S 73 Ta5+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 29.539469 16.741854 15.182070 1.642916 16.437447 -11.542459 1.612934 0.160460 7.654408 17.070732 0.001858 #S 74 W #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.507900 15.682498 37.960129 4.885509 16.792112 -32.864574 1.629485 9.446448 0.000898 59.980675 0.160798 #S 74 W6+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 29.729357 17.247808 15.184488 1.154652 0.739335 3.945157 1.501648 0.140803 6.880573 14.299601 14.299618 #S 75 Re #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.888456 16.117104 42.390297 5.211669 16.767591 -37.412682 1.549238 9.233474 0.000689 54.516373 0.152815 #S 76 Os #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.210297 16.678440 48.559906 5.455839 16.735533 -43.677956 1.473531 9.049695 0.000519 50.210201 0.145771 #S 76 Os4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 17.113485 15.792370 23.342392 4.090271 7.671292 3.988390 0.131850 7.288542 1.389307 19.629425 1.389307 #S 77 Ir #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.004436 1.975454 17.070105 15.939454 5.990003 4.018893 1.353767 81.014175 0.128093 7.661196 26.659403 #S 77 Ir3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.537575 16.363338 15.597141 5.051404 1.436935 4.009459 1.334144 7.451918 0.127514 21.705648 0.127515 #S 77 Ir4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 30.391249 16.146996 17.019068 4.458904 0.975372 4.006865 1.328519 7.181766 0.127337 19.060146 1.328519 #S 78 Pt #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.273891 18.445440 17.063745 5.555933 1.575270 4.050394 1.316992 8.797154 0.124741 40.177994 1.316997 #S 78 Pt2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.986849 17.249048 15.269374 5.760234 1.694079 4.032512 1.281143 7.625512 0.123571 24.190826 0.123571 #S 78 Pt4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 41.932713 16.339224 17.653894 6.012420 -12.036877 4.094551 1.111409 6.466086 0.128917 16.954155 0.778721 #S 79 Au #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.777390 19.317156 32.979683 5.595453 10.576854 -6.279078 0.122737 8.621570 1.256902 38.008820 0.000601 #S 79 Au1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.124306 16.716476 16.814100 7.311565 0.993064 4.040792 1.216073 7.165378 0.118715 20.442486 53.095985 #S 79 Au3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 31.704271 17.545767 16.819551 5.522640 0.361725 4.042679 1.215561 7.220506 0.118812 20.050970 1.215562 #S 80 Hg #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.839890 20.023823 28.428564 5.881564 4.714706 4.076478 0.115905 8.256927 1.195250 39.247227 1.195250 #S 80 Hg1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 28.866837 19.277540 16.776051 6.281459 3.710289 4.068430 1.173967 7.583842 0.115351 29.055994 1.173968 #S 80 Hg2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.411079 18.690371 16.711773 9.974835 -3.847611 4.052869 1.162980 7.329806 0.114518 22.009489 22.009493 #S 81 Tl #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.630795 19.386616 32.808571 1.747191 6.356862 4.066939 0.110704 7.181401 1.119730 90.660263 26.014978 #S 81 Tl1+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.295044 16.570049 17.991013 1.535355 7.554591 4.054030 1.101544 0.110020 6.528559 52.495068 20.338634 #S 81 Tl3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.525639 19.139185 17.100321 5.891115 12.599463 -9.256075 1.094966 6.900992 0.103667 18.489614 -0.001401 #S 82 Pb #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.419567 32.738590 6.530247 2.342742 19.916475 4.049824 0.105499 1.055049 25.025890 80.906593 6.664449 #S 82 Pb2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 27.392647 16.496822 19.984501 6.813923 5.233910 4.065623 1.058874 0.106305 6.708123 24.395554 1.058874 #S 82 Pb4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.505657 20.014240 14.645661 5.029499 1.760138 4.044678 1.047035 6.670321 0.105279 16.525040 0.105279 #S 83 Bi #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.282274 32.725136 6.678302 2.694750 20.576559 4.040914 0.101180 1.002287 25.714146 77.057549 6.291882 #S 83 Bi3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.461437 19.438683 16.302486 7.322662 0.431704 4.043703 0.997930 6.038867 0.101338 18.371586 46.361046 #S 83 Bi5+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.734028 20.580494 9.452623 61.155834 -34.041023 4.113663 0.105076 4.773282 11.762162 1.211775 1.619408 #S 84 Po #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.289164 32.807171 21.095163 2.505901 7.254589 4.046556 0.098121 0.966265 6.046622 76.598068 28.096128 #S 85 At #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.011461 32.615547 8.113899 2.884082 21.377867 3.995684 0.092639 0.904416 26.543257 68.372963 5.499512 #S 86 Rn #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.070229 32.641106 21.489658 2.299218 9.480184 4.020977 0.090437 0.876409 5.239687 69.188477 27.632641 #S 87 Fr #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 16.007385 32.663830 21.594351 1.598497 11.121192 4.003472 0.087031 0.840187 4.954467 199.805801 26.905106 #S 88 Ra #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.563690 21.396671 11.298093 2.834688 15.914965 3.981773 0.801980 4.590666 22.758972 160.404388 0.083544 #S 88 Ra2+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 4.986228 32.474945 21.947443 11.800013 10.807292 3.956572 0.082597 0.791468 4.608034 24.792431 0.082597 #S 89 Ac #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.914053 32.535042 21.553976 11.433394 3.612409 3.939212 0.080511 0.770669 4.352206 21.381622 130.500748 #S 89 Ac3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.584983 32.022125 21.456327 0.757593 12.341252 3.838984 0.077438 0.739963 4.040735 47.525002 19.406845 #S 90 Th #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.784024 32.454899 21.849222 4.239077 11.736191 3.922533 0.077067 0.735137 4.097976 109.464111 20.512138 #S 90 Th4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.515445 32.090691 13.996399 12.918157 7.635514 3.831122 0.074499 0.711663 3.871044 18.596891 3.871044 #S 91 Pa #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.740208 21.973675 12.957398 3.683832 15.744058 3.886066 0.709545 4.050881 19.231543 117.255005 0.074040 #S 92 U #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.679275 32.824306 13.660459 3.687261 22.279434 3.854444 0.071206 0.681177 18.236156 112.500038 3.930325 #S 92 U3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.360309 32.395657 21.961290 1.325894 14.251453 3.706622 0.067815 0.654643 3.643409 39.604965 16.330570 #S 92 U4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.355091 32.235306 0.557745 14.396367 21.751173 3.705863 0.067789 0.652613 42.354237 15.908239 3.553231 #S 92 U6+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.333844 31.770849 21.274414 13.872636 0.048519 3.700591 0.067644 0.646384 3.317894 14.650250 75.339699 #S 93 Np #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 32.999901 22.638077 14.219973 3.672950 15.683245 3.769391 0.657086 3.854918 17.435474 109.464485 0.068033 #S 93 Np3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.378152 32.572132 22.206125 1.413295 14.828381 3.603370 0.064613 0.631420 3.561936 37.875511 15.546129 #S 93 Np4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.373926 32.423019 21.969994 0.662078 14.969350 3.603039 0.064597 0.629658 3.476389 39.438942 15.135764 #S 93 Np6+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.359986 31.992825 21.412458 0.066574 14.568174 3.600942 0.064528 0.624505 3.253441 67.658318 13.980832 #S 94 Pu #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 33.281178 23.148544 15.153755 3.031492 15.704215 3.664200 0.634999 3.856168 16.849735 121.292038 0.064857 #S 94 Pu3+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.356004 32.769127 22.680210 1.351055 15.416232 3.428895 0.060590 0.604663 3.491509 37.260635 14.981921 #S 94 Pu4+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.416219 32.610569 22.256662 0.719495 15.518152 3.480408 0.061456 0.607938 3.411848 37.628792 14.464360 #S 94 Pu6+ #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.436506 32.289719 14.726737 15.012391 7.024677 3.502325 0.061815 0.606541 3.245363 13.616438 3.245364 #S 95 Am #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 33.435162 23.657259 15.576339 3.027023 15.746100 3.541160 0.612785 3.792942 16.195778 117.757004 0.061755 #S 96 Cm #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.804837 33.480801 24.150198 3.655563 15.499866 3.390840 0.058619 0.590160 3.674720 100.736191 15.408296 #S 97 Bk #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 15.889072 33.625286 24.710381 3.707139 15.839268 3.213169 0.055503 0.569571 3.615472 97.694786 14.754303 #S 98 Cf #N 11 #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 33.794075 25.467693 16.048487 3.657525 16.008982 3.005326 0.550447 3.581973 14.357388 96.064972 0.052450