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FormFactors.py
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# -*- coding: utf-8 -*-
'''
Contains atomic scattering factors from
"New Analytical Scattering Factor Functions for Free Atoms
and Ions for Free Atoms and Ions",
D. Waasmaier & A. Kirfel,
*Acta Cryst.* **(1995).** A51, 416-413.
Also, tabulated coefficients for calculation of Compton Cross Section as a function of sin(theta)/lambda from
"Analytic Approximations to Incoherently Scattered X-Ray Intensities",
H. H. M. Balyuzi, *Acta Cryst.* **(1975).** A31, 600.
'''
#
# The atomic scattering factor is calculated using the method developed by D. Waasmaier & A. Kirfel
#
# New Analytical Scattering Factor Functions for Free Atoms
# and Ions for Free Atoms and Ions
# D. Waasmaier & A. Kirfel
# Acta Cryst. (1995). A51, 416-413
#
# fo the non-dispersive part of the atomic scattering factor is a
# function of the selected element and of sin(theta)/lambda, where
# lambda is the photon wavelengh and theta is incident angle.
# This function can be approximated by a function:
#
# f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ]
# i=1,5
#
# where k = sin(theta) / lambda and c, a_i and b_i
# are the coefficients tabulated in this file (in columns:
# a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5
#
FFac5term = {
'H' :[ 0.413048, 0.294953, 0.187491, 0.080701, 0.023736, 0.000049, 15.569946, 32.398468, 5.711404, 61.889874, 1.334118],
'He':[ 0.732354, 0.753896, 0.283819, 0.190003, 0.039139, 0.000487, 11.553918, 4.595831, 1.546299, 26.463964, 0.377523],
'Li':[ 0.974637, 0.158472, 0.811855, 0.262416, 0.790108, 0.002542, 4.334946, 0.342451, 97.102966, 201.363831, 1.409234],
'Be':[ 1.533712, 0.638283, 0.601052, 0.106139, 1.118414, 0.002511, 42.662079, 0.595420, 99.106499, 0.151340, 1.843093],
'B' :[ 2.085185, 1.064580, 1.062788, 0.140515, 0.641784, 0.003823, 23.494068, 1.137894, 61.238976, 0.114886, 0.399036],
'C' :[ 2.657506, 1.078079, 1.490909, -4.241070, 0.713791, 4.297983, 14.780758, 0.776775, 42.086842, -0.000294, 0.239535],
'N' :[ 11.893780, 3.277479, 1.858092, 0.858927, 0.912985, -11.80490, 0.000158, 10.232723, 30.344690, 0.656065, 0.217287],
'O' :[ 2.960427, 2.508818, 0.637853, 0.722838, 1.142756, 0.027014, 14.182259, 5.936858, 0.112726, 34.958481, 0.390240],
'F' :[ 3.511943, 2.772244, 0.678385, 0.915159, 1.089261, 0.032557, 10.687859, 4.380466, 0.093982, 27.255203, 0.313066],
'Ne':[ 4.183749, 2.905726, 0.520513, 1.135641, 1.228065, 0.025576, 8.175457, 3.252536, 0.063295, 21.813910, 0.224952],
'Na':[ 4.910127, 3.081783, 1.262067, 1.098938, 0.560991, 0.079712, 3.281434, 9.119178, 0.102763, 132.013947, 0.405878],
'Mg':[ 4.708971, 1.194814, 1.558157, 1.170413, 3.239403, 0.126842, 4.875207,108.506081, 0.111516, 48.292408, 1.928171],
'Al':[ 4.730796, 2.313951, 1.541980, 1.117564, 3.154754, 0.139509, 3.628931, 43.051167, 0.095960, 108.932388, 1.555918],
'Si':[ 5.275329, 3.191038, 1.511514, 1.356849, 2.519114, 0.145073, 2.631338, 33.730728, 0.081119, 86.288643, 1.170087],
'P' :[ 1.950541, 4.146930, 1.494560, 1.522042, 5.729711, 0.155233, 0.908139, 27.044952, 0.071280, 67.520187, 1.981173],
'S' :[ 6.372157, 5.154568, 1.473732, 1.635073, 1.209372, 0.154722, 1.514347, 22.092527, 0.061373, 55.445175, 0.646925],
'Cl':[ 1.446071, 6.870609, 6.151801, 1.750347, 0.634168, 0.146773, 0.052357, 1.193165, 18.343416, 46.398396, 0.401005],
'Ar':[ 7.188004, 6.638454, 0.454180, 1.929593, 1.523654, 0.265954, 0.956221, 15.339877, 15.339862, 39.043823, 0.062409],
'K' :[ 8.163991, 7.146945, 1.070140, 0.877316, 1.486434, 0.253614, 12.816323, 0.808945,210.327011, 39.597652, 0.052821],
'Ca':[ 8.593655, 1.477324, 1.436254, 1.182839, 7.113258, 0.196255, 10.460644, 0.041891, 81.390381, 169.847839, 0.688098],
'Sc':[ 1.476566, 1.487278, 1.600187, 9.177463, 7.099750, 0.157765, 53.131023, 0.035325,137.319489, 9.098031, 0.602102],
'Ti':[ 9.818524, 1.522646, 1.703101, 1.768774, 7.082555, 0.102473, 8.001879, 0.029763, 39.885422, 120.157997, 0.532405],
'V' :[ 10.473575, 1.547881, 1.986381, 1.865616, 7.056250, 0.067744, 7.081940, 0.026040, 31.909672, 108.022842, 0.474882],
'Cr':[ 11.007069, 1.555477, 2.985293, 1.347855, 7.034779, 0.065510, 6.366281, 0.023987, 23.244839, 105.774498, 0.429369],
'Mn':[ 11.709542, 1.733414, 2.673141, 2.023368, 7.003180, -0.147293, 5.597120, 0.017800, 21.788420, 89.517914, 0.383054],
'Fe':[ 12.311098, 1.876623, 3.066177, 2.070451, 6.975185, -0.304931, 5.009415, 0.014461, 18.743040, 82.767876, 0.346506],
'Co':[ 12.914510, 2.481908, 3.466894, 2.106351, 6.960892, -0.936572, 4.507138, 0.009126, 16.438129, 76.987320, 0.314418],
'Ni':[ 13.521865, 6.947285, 3.866028, 2.135900, 4.284731, -2.762697, 4.077277, 0.286763, 14.622634, 71.966080, 0.004437],
'Cu':[ 14.014192, 4.784577, 5.056806, 1.457971, 6.932996, -3.254477, 3.738280, 0.003744, 13.034982, 72.554794, 0.265666],
'Zn':[ 14.741002, 6.907748, 4.642337, 2.191766, 38.424042, -36.915829, 3.388232, 0.243315, 11.903689, 63.312130, 0.000397],
'Ga':[ 15.758946, 6.841123, 4.121016, 2.714681, 2.395246, -0.847395, 3.121754, 0.226057, 12.482196, 66.203621, 0.007238],
'Ge':[ 16.540613, 1.567900, 3.727829, 3.345098, 6.785079, 0.018726, 2.866618, 0.012198, 13.432163, 58.866047, 0.210974],
'As':[ 17.025642, 4.503441, 3.715904, 3.937200, 6.790175, -2.984117, 2.597739, 0.003012, 14.272119, 50.437996, 0.193015],
'Se':[ 17.354071, 4.653248, 4.259489, 4.136455, 6.749163, -3.160982, 2.349787, 0.002550, 15.579460, 45.181202, 0.177432],
'Br':[ 17.550570, 5.411882, 3.937180, 3.880645, 6.707793, -2.492088, 2.119226, 16.557184, 0.002481, 42.164009, 0.162121],
'Kr':[ 17.655279, 6.848105, 4.171004, 3.446760, 6.685200, -2.810592, 1.908231, 16.606236, 0.001598, 39.917473, 0.146896],
'Rb':[ 8.123134, 2.138042, 6.761702, 1.156051, 17.679546, 1.139548, 15.142385, 33.542667, 0.129372, 224.132507, 1.713368],
'Sr':[ 17.730219, 9.795867, 6.099763, 2.620025, 0.600053, 1.140251, 1.563060, 14.310868, 0.120574, 135.771317, 0.120574],
'Y' :[ 17.792040, 10.253252, 5.714949, 3.170516, 0.918251, 1.131787, 1.429691, 13.132816, 0.112173, 108.197029, 0.112173],
'Zr':[ 17.859772, 10.911038, 5.821115, 3.512513, 0.746965, 1.124859, 1.310692, 12.319285, 0.104353, 91.777542, 0.104353],
'Nb':[ 17.958399, 12.063054, 5.007015, 3.287667, 1.531019, 1.123452, 1.211590, 12.246687, 0.098615, 75.011948, 0.098615],
'Mo':[ 6.236218, 17.987711, 12.973127, 3.451426, 0.210899, 1.108770, 0.090780, 1.108310, 11.468720, 66.684151, 0.090780],
'Tc':[ 17.840963, 3.428236, 1.373012, 12.947364, 6.335469, 1.074784, 1.005729, 41.901382,119.320541, 9.781542, 0.083391],
'Ru':[ 6.271624, 17.906738, 14.123269, 3.746008, 0.908235, 1.043992, 0.077040, 0.928222, 9.555345, 35.860680, 123.552246],
'Rh':[ 6.216648, 17.919739, 3.854252, 0.840326, 15.173498, 0.995452, 0.070789, 0.856121, 33.889484, 121.686691, 9.029517],
'Pd':[ 6.121511, 4.784063, 16.631683, 4.318258, 13.246773, 0.883099, 0.062549, 0.784031, 8.751391, 34.489983, 0.784031],
'Ag':[ 6.073874, 17.155437, 4.173344, 0.852238, 17.988686, 0.756603, 0.055333, 7.896512, 28.443739, 110.376106, 0.716809],
'Cd':[ 6.080986, 18.019468, 4.018197, 1.303510, 17.974669, 0.603504, 0.048990, 7.273646, 29.119284, 95.831207, 0.661231],
'In':[ 6.196477, 18.816183, 4.050479, 1.638929, 17.962912, 0.333097, 0.042072, 6.695665, 31.009790, 103.284348, 0.610714],
'Sn':[ 19.325171, 6.281571, 4.498866, 1.856934, 17.917318, 0.119024, 6.118104, 0.036915, 32.529045, 95.037186, 0.565651],
'Sb':[ 5.394956, 6.549570, 19.650681, 1.827820, 17.867832, -0.290506, 33.326523, 0.030974, 5.564929, 87.130966, 0.523992],
'Te':[ 6.660302, 6.940756, 19.847015, 1.557175, 17.802427, -0.806668, 33.031654, 0.025750, 5.065547, 84.101616, 0.487660],
'I' :[ 19.884502, 6.736593, 8.110516, 1.170953, 17.548716, -0.448811, 4.628591, 0.027754, 31.849096, 84.406387, 0.463550],
'Xe':[ 19.978920, 11.774945, 9.332182, 1.244749, 17.737501, -6.065902, 4.143356, 0.010142, 28.796200, 75.280685, 0.413616],
'Cs':[ 17.418674, 8.314444, 10.323193, 1.383834, 19.876251, -2.322802, 0.399828, 0.016872, 25.605827, 233.339676, 3.826915],
'Ba':[ 19.747343, 17.368477, 10.465718, 2.592602, 11.003653, -5.183497, 3.481823, 0.371224, 21.226641, 173.834274, 0.010719],
'La':[ 19.966019, 27.329655, 11.018425, 3.086696, 17.335455, -21.745489, 3.197408, 0.003446, 19.955492, 141.381973, 0.341817],
'Ce':[ 17.355122, 43.988499, 20.546650, 3.130670, 11.353665, -38.386017, 0.328369, 0.002047, 3.088196, 134.907654, 18.832960],
'Pr':[ 21.551311, 17.161730, 11.903859, 2.679103, 9.564197, -3.871068, 2.995675, 0.312491, 17.716705, 152.192825, 0.010468],
'Nd':[ 17.331244, 62.783924, 12.160097, 2.663483, 22.239950, -57.189842, 0.300269, 0.001320, 17.026001, 148.748993, 2.910268],
'Pm':[ 17.286388, 51.560162, 12.478557, 2.675515, 22.960947, -45.973682, 0.286620, 0.001550, 16.223755, 143.984512, 2.796480],
'Sm':[ 23.700363, 23.072214, 12.777782, 2.684217, 17.204367, -17.452166, 2.689539, 0.003491, 15.495437, 139.862473, 0.274536],
'Eu':[ 17.186195, 37.156837, 13.103387, 2.707246, 24.419271, -31.586687, 0.261678, 0.001995, 14.787360, 134.816299, 2.581883],
'Gd':[ 24.898117, 17.104952, 13.222581, 3.266152, 48.995213, -43.505684, 2.435028, 0.246961, 13.996325, 110.863091, 0.001383],
'Tb':[ 25.910013, 32.344139, 13.765117, 2.751404, 17.064405, -26.851971, 2.373912, 0.002034, 13.481969, 125.836510, 0.236916],
'Dy':[ 26.671785, 88.687576, 14.065445, 2.768497, 17.067781, -83.279831, 2.282593, 0.000665, 12.920230, 121.937187, 0.225531],
'Ho':[ 27.150190, 16.999819, 14.059334, 3.386979, 46.546471, -41.165253, 2.169660, 0.215414, 12.213148, 100.506783, 0.001211],
'Er':[ 28.174887, 82.493271, 14.624002, 2.802756, 17.018515, -77.135223, 2.120995, 0.000640, 11.915256, 114.529938, 0.207519],
'Tm':[ 28.925894, 76.173798, 14.904704, 2.814812, 16.998117, -70.839813, 2.046203, 0.000656, 11.465375, 111.411980, 0.199376],
'Yb':[ 29.676760, 65.624069, 15.160854, 2.830288, 16.997850, -60.313812, 1.977630, 0.000720, 11.044622, 108.139153, 0.192110],
'Lu':[ 30.122866, 15.099346, 56.314899, 3.540980, 16.943729, -51.049416, 1.883090, 10.342764, 0.000780, 89.559250, 0.183849],
'Hf':[ 30.617033, 15.145351, 54.933548, 4.096253, 16.896156, -49.719837, 1.795613, 9.934469, 0.000739, 76.189705, 0.175914],
'Ta':[ 31.066359, 15.341823, 49.278297, 4.577665, 16.828321, -44.119026, 1.708732, 9.618455, 0.000760, 66.346199, 0.168002],
'W' :[ 31.507900, 15.682498, 37.960129, 4.885509, 16.792112, -32.864574, 1.629485, 9.446448, 0.000898, 59.980675, 0.160798],
'Re':[ 31.888456, 16.117104, 42.390297, 5.211669, 16.767591, -37.412682, 1.549238, 9.233474, 0.000689, 54.516373, 0.152815],
'Os':[ 32.210297, 16.678440, 48.559906, 5.455839, 16.735533, -43.677956, 1.473531, 9.049695, 0.000519, 50.210201, 0.145771],
'Ir':[ 32.004436, 1.975454, 17.070105, 15.939454, 5.990003, 4.018893, 1.353767, 81.014175, 0.128093, 7.661196, 26.659403],
'Pt':[ 31.273891, 18.445440, 17.063745, 5.555933, 1.575270, 4.050394, 1.316992, 8.797154, 0.124741, 40.177994, 1.316997],
'Au':[ 16.777390, 19.317156, 32.979683, 5.595453, 10.576854, -6.279078, 0.122737, 8.621570, 1.256902, 38.008820, 0.000601],
'Hg':[ 16.839890, 20.023823, 28.428564, 5.881564, 4.714706, 4.076478, 0.115905, 8.256927, 1.195250, 39.247227, 1.195250],
'Tl':[ 16.630795, 19.386616, 32.808571, 1.747191, 6.356862, 4.066939, 0.110704, 7.181401, 1.119730, 90.660263, 26.014978],
'Pb':[ 16.419567, 32.738590, 6.530247, 2.342742, 19.916475, 4.049824, 0.105499, 1.055049, 25.025890, 80.906593, 6.664449],
'Bi':[ 16.282274, 32.725136, 6.678302, 2.694750, 20.576559, 4.040914, 0.101180, 1.002287, 25.714146, 77.057549, 6.291882],
'Po':[ 16.289164, 32.807171, 21.095163, 2.505901, 7.254589, 4.046556, 0.098121, 0.966265, 6.046622, 76.598068, 28.096128],
'At':[ 16.011461, 32.615547, 8.113899, 2.884082, 21.377867, 3.995684, 0.092639, 0.904416, 26.543257, 68.372963, 5.499512],
'Rn':[ 16.070229, 32.641106, 21.489658, 2.299218, 9.480184, 4.020977, 0.090437, 0.876409, 5.239687, 69.188477, 27.632641],
'Fr':[ 16.007385, 32.663830, 21.594351, 1.598497, 11.121192, 4.003472, 0.087031, 0.840187, 4.954467, 199.805801, 26.905106],
'Ra':[ 32.563690, 21.396671, 11.298093, 2.834688, 15.914965, 3.981773, 0.801980, 4.590666, 22.758972, 160.404388, 0.083544],
'Ac':[ 15.914053, 32.535042, 21.553976, 11.433394, 3.612409, 3.939212, 0.080511, 0.770669, 4.352206, 21.381622, 130.500748],
'Th':[ 15.784024, 32.454899, 21.849222, 4.239077, 11.736191, 3.922533, 0.077067, 0.735137, 4.097976, 109.464111, 20.512138],
'Pa':[ 32.740208, 21.973675, 12.957398, 3.683832, 15.744058, 3.886066, 0.709545, 4.050881, 19.231543, 117.255005, 0.074040],
'U' :[ 15.679275, 32.824306, 13.660459, 3.687261, 22.279434, 3.854444, 0.071206, 0.681177, 18.236156, 112.500038, 3.930325],
'Np':[ 32.999901, 22.638077, 14.219973, 3.672950, 15.683245, 3.769391, 0.657086, 3.854918, 17.435474, 109.464485, 0.068033],
'Pu':[ 33.281178, 23.148544, 15.153755, 3.031492, 15.704215, 3.664200, 0.634999, 3.856168, 16.849735, 121.292038, 0.064857],
'Am':[ 33.435162, 23.657259, 15.576339, 3.027023, 15.746100, 3.541160, 0.612785, 3.792942, 16.195778, 117.757004, 0.061755],
'Cm':[ 15.804837, 33.480801, 24.150198, 3.655563, 15.499866, 3.390840, 0.058619, 0.590160, 3.674720, 100.736191, 15.408296],
'Bk':[ 15.889072, 33.625286, 24.710381, 3.707139, 15.839268, 3.213169, 0.055503, 0.569571, 3.615472, 97.694786, 14.754303],
'Cf':[ 33.794075, 25.467693, 16.048487, 3.657525, 16.008982, 3.005326, 0.550447, 3.581973, 14.357388, 96.064972, 0.052450],
'H1- ':[ 0.702260, 0.763666, 0.248678, 0.261323, 0.023017, 0.000425, 23.945604, 74.897919, 6.773289, 233.583450, 1.337],
'Li1+':[ 0.432724, 0.549257, 0.376575, -0.336481, 0.976060, 0.001764, 0.260367, 1.042836, 7.885294, 0.260368, 3.042],
'Be2+':[ 3.055430, -2.372617, 1.044914, 0.544233, 0.381737, -0.653773, 0.001226, 0.001227, 1.542106, 0.456279, 4.047],
'Cval':[ 1.258489, 0.728215, 1.119856, 2.168133, 0.705239, 0.019722, 10.683769, 0.208177, 0.836097, 24.603704, 58.954],
'O1- ':[ 3.106934, 3.235142, 1.148886, 0.783981, 0.676953, 0.046136, 19.868080, 6.960252, 0.170043, 65.693512, 0.630],
'O2- ':[ 3.990247, 2.300563, 0.607200, 1.907882, 1.167080, 0.025429, 16.639956, 5.636819, 0.108493, 47.299709, 0.379],
'F1- ':[ 0.457649, 3.841561, 1.432771, 0.801876, 3.395041, 0.069525, 0.917243, 5.507803, 0.164955, 51.076206, 15.821],
'Na1+':[ 3.148690, 4.073989, 0.767888, 0.995612, 0.968249, 0.045300, 2.594987, 6.046925, 0.070139, 14.122657, 0.217],
'Mg2+':[ 3.062918, 4.135106, 0.853742, 1.036792, 0.852520, 0.058851, 2.015803, 4.417941, 0.065307, 9.669710, 0.187],
'Al3+':[ 4.132015, 0.912049, 1.102425, 0.614876, 3.219136, 0.019397, 3.528641, 7.378344, 0.133708, 0.039065, 1.644],
'Siva':[ 2.879033, 3.072960, 1.515981, 1.390030, 4.995051, 0.146030, 1.239713, 38.706276, 0.081481, 93.616333, 2.770],
'Si4+':[ 3.676722, 3.828496, 1.258033, 0.419024, 0.720421, 0.097266, 1.446851, 3.013144, 0.064397, 0.206254, 5.970],
'Cl1-':[ 1.061802, 7.139886, 6.524271, 2.355626, 35.829403, -34.916603, 0.144727, 1.171795, 19.467655, 60.320301, 0.000],
'K1+ ':[ -17.609339, 1.494873, 7.150305, 10.899569, 15.808228, 0.257164, 18.840979, 0.053453, 0.812940, 22.264105, 14.351],
'Ca2+':[ 8.501441, 12.880483, 9.765095, 7.156669, 0.711160, -21.013187, 10.525848, -0.004033, 0.010692, 0.684443, 27.231],
'Sc3+':[ 7.104348, 1.511488,-53.669773, 38.404816, 24.532240, 0.118642, 0.601957, 0.033386, 12.572138, 10.859736, 14.125],
'Ti2+':[ 7.040119, 1.496285, 9.657304, 0.006534, 1.649561, 0.150362, 0.537072, 0.031914, 8.009958, 201.800293, 24.039],
'Ti3+':[ 36.587933, 7.230255, -9.086077, 2.084594, 17.294008, -35.111282, 0.000681, 0.522262, 5.262317, 15.881716, 6.149],
'Ti4+':[ 45.355537, 7.092900, 7.483858,-43.498817, 1.678915, -0.110628, 9.252186, 0.523046, 13.082852, 10.193876, 0.023],
'V2+ ':[ 7.754356, 2.064100, 2.576998, 2.011404, 7.126177, -0.533379, 7.066315, 0.014993, 7.066308, 22.055786, 0.467],
'V3+ ':[ 9.958480, 1.596350, 1.483442,-10.846044, 17.332867, 0.474921, 6.763041, 0.056895, 17.750029, 0.328826, 0.388],
'V5+ ':[ 15.575018, 8.448095, 1.612040, -9.721855, 1.534029, 0.552676, 0.682708, 5.566640, 10.527077, 0.907961, 0.066],
'Cr2+':[ 10.598877, 1.565858, 2.728280, 0.098064, 6.959321, 0.049870, 6.151846, 0.023519, 17.432816, 54.002388, 0.426],
'Cr3+':[ 7.989310, 1.765079, 2.627125, 1.829380, 6.980908, -0.192123, 6.068867, 0.018342, 6.068887, 16.309284, 0.420],
'Mn2+':[ 11.287712, 26.042414, 3.058096, 0.090258, 7.088306, -24.566132, 5.506225, 0.000774, 16.158575, 54.766354, 0.375],
'Mn3+':[ 6.926972, 2.081342, 11.128379, 2.375107, -0.419287, -0.093713, 0.378315, 0.015054, 5.379957, 14.429586, 0.004],
'Mn4+':[ 12.409131, 7.466993, 1.809947,-12.138477, 10.780248, 0.672146, 0.300400, 0.112814, 12.520756, 0.168653, 5.173],
'Fe2+':[ 11.776765, 11.165097, 3.533495, 0.165345, 7.036932, -9.676919, 4.912232, 0.001748, 14.166556, 42.381958, 0.341],
'Fe3+':[ 9.721638, 63.403847, 2.141347, 2.629274, 7.033846, -61.930725, 4.869297, 0.000293, 4.867602, 13.539076, 0.338],
'Co2+':[ 6.993840, 26.285812, 12.254289, 0.246114, 4.017407, -24.796852, 0.310779, 0.000684, 4.400528, 35.741447, 12.536],
'Co3+':[ 6.861739, 2.678570, 12.281889, 3.501741, -0.179384, -1.147345, 0.309794, 0.008142, 4.331703, 11.914167, 11.914],
'Ni2+':[ 12.519017, 37.832058, 4.387257, 0.661552, 6.949072, -36.344471, 3.933053, 0.000442, 10.449184, 23.860998, 0.283],
'Ni3+':[ 13.579366, 1.902844, 12.859268, 3.811005, -6.838595, -0.317618, 0.313140, 0.012621, 3.906407, 10.894311, 0.344],
'Cu1+':[ 12.960763, 16.342150, 1.110102, 5.520682, 6.915452, -14.849320, 3.576010, 0.000975, 29.523218, 10.114283, 0.261],
'Cu2+':[ 11.895569, 16.344978, 5.799817, 1.048804, 6.789088, -14.878383, 3.378519, 0.000924, 8.133653, 20.526524, 0.254],
'Zn2+':[ 13.340772, 10.428857, 5.544489, 0.762295, 6.869172, -8.945248, 3.215913, 0.001413, 8.542680, 21.891756, 0.239],
'Ga3+':[ 13.123875, 35.288189, 6.126979, 0.611551, 6.724807, -33.875122, 2.809960, 0.000323, 6.831534, 16.784311, 0.212],
'Ge4+':[ 6.876636, 6.779091, 9.969591, 3.135857, 0.152389, 1.08654 , 2.025174, 0.176650, 3.573822, 7.685848, 16.677],
'Br1-':[ 17.714310, 6.466926, 6.947385, 4.402674, -0.697279, 1.152674, 2.122554, 19.050768, 0.152708, 58.690361, 58.690],
'Rb1+':[ 17.684320, 7.761588, 6.680874, 2.668883, 0.070974, 1.133263, 1.710209, 14.919863, 0.128542, 31.654478, 0.128],
'Sr2+':[ 17.694973, 1.275762, 6.154252, 9.234786, 0.515995, 1.125309, 1.550888, 30.133041, 0.118774, 13.821799, 0.118],
'Y3+ ':[ 46.660366, 10.369686, 4.623042,-62.170834, 17.471146, 19.023842, -0.019971, 13.180257, 0.176398, -0.016727, 1.467],
'Zr4+':[ 6.802956, 17.699253, 10.650647, -0.248108, 0.250338, 0.827902, 0.096228, 1.296127, 11.240715, -0.219259, -0.219],
'Nb3+':[ 17.714323, 1.675213, 7.483963, 8.322464, 11.143573, -8.339573, 1.172419, 30.102791, 0.080255, -0.002983, 10.456],
'Nb5+':[ 17.580206, 7.633277, 10.793497, 0.180884, 67.837921, -68.024780, 1.165852, 0.078558, 9.507652, 31.621656, -0.000],
'Mo3+':[ 7.447050, 17.778122, 11.886068, 1.997905, 1.789626, -1.898764, 0.072000, 1.073145, 9.834720, 28.221746, -0.011],
'Mo5+':[ 7.929879, 17.667669, 11.515987, 0.500402, 77.444084, -78.056595, 0.068856, 1.068064, 9.046229, 26.558945, -0.000],
'Mo6+':[ 34.757683, 9.653037, 6.584769,-18.628115, 2.490594, 1.141916, 1.301770, 7.123843, 0.094097, 1.617443, 12.335],
'Ru3+':[ 17.894758, 13.579529, 10.729251, 2.474095, 48.227997, -51.905243, 0.902827, 8.740579, 0.045125, 24.764954, -0.001],
'Ru4+':[ 17.845776, 13.455084, 10.229087, 1.653524, 14.059795, -17.241762, 0.901070, 8.482392, 0.045972, 23.015272, -0.004],
'Rh3+':[ 17.758621, 14.569813, 5.298320, 2.533579, 0.879753, 0.960843, 0.841779, 8.319533, 0.069050, 23.709131, 0.069],
'Rh4+':[ 17.716188, 14.446654, 5.185801, 1.703448, 0.989992, 0.959941, 0.840572, 8.100647, 0.068995, 22.357307, 0.068],
'Pd2+':[ 6.122282, 15.651012, 3.513508, 9.060790, 8.771199, 0.879336, 0.062424, 8.018296, 24.784275, 0.776457, 0.776],
'Pd4+':[ 6.152421,-96.069023,-31.622141,-81.578255, -17.801403, -0.915874, -0.063951,-11.090354,-13.466152, -9.758302, -0.783],
'Ag1+':[ 6.091192, 4.019526, 16.948174, 4.258638, 13.889437, 0.785127, 0.056305, 0.719340, 7.758938, 27.368349, 0.719],
'Ag2+':[ 6.401808, 48.699802, 4.799859,-32.332523, 16.356710, 1.068247, 0.068167, 0.942270, 20.639496, 1.100365, 6.883],
'Cd2+':[ 6.093711, 43.909691, 17.041306,-39.675117, 17.958918, 0.664795, 0.050624, 8.654143, 15.621396, 11.082067, 0.667],
'In3+':[ 6.206277, 18.497746, 3.078131, 10.524613, 7.401234, 0.293677, 0.041357, 6.605563, 18.792250, 0.608082, 0.608],
'Sn2+':[ 6.353672, 4.770377, 14.672025, 4.235959, 18.002131, -0.042519, 0.034720, 6.167891, 6.167879, 29.006456, 0.561],
'Sn4+':[ 15.445732, 6.420892, 4.562980, 1.713385, 18.033537, -0.172219, 6.280898, 0.033144, 6.280899, 17.983601, 0.557],
'Sb3+':[ 10.189171, 57.461918, 19.356573, 4.862206, -45.394096, 1.516108, 0.089485, 0.375256, 5.357987, 22.153736, 0.297],
'Sb5+':[ 17.920622, 6.647932, 12.724075, 1.555545, 7.600591, -0.445371, 0.522315, 0.029487, 5.718210, 16.433775, 5.718],
'I1- ':[ 20.010330, 17.835524, 8.104130, 2.231118, 9.158548, -3.341004, 4.565931, 0.444266, 32.430672, 95.149040, 0.014],
'Cs1+':[ 19.939056, 24.967621, 10.375884, 0.454243, 17.660248, -19.394306, 3.770511, 0.004040, 25.311275, 76.537766, 0.384],
'Ba2+':[ 19.750200, 17.513683, 10.884892, 0.321585, 65.149834, -59.618172, 3.430748, 0.361590, 21.358307, 70.309402, 0.001],
'La3+':[ 19.688887, 17.345703, 11.356296, 0.099418, 82.358124, -76.846909, 3.146211, 0.339586, 18.753832, 90.345459, 0.001],
'Ce3+':[ 26.593231, 85.866432, -6.677695, 12.111847, 17.401903, -80.313423, 3.280381, 0.001012, 4.313575, 17.868504, 0.326],
'Ce4+':[ 17.457533, 25.659941, 11.691037, 19.695251, -16.994749, -3.515096, 0.311812, -0.003793, 16.568687, 2.886395, -0.008],
'Pr3+':[ 20.879841, 36.035797, 12.135341, 0.283103, 17.167803, -30.500784, 2.870897, 0.002364, 16.615236, 53.909359, 0.306],
'Pr4+':[ 17.496082, 21.538509, 20.403114, 12.062211, -7.492043, -9.016722, 0.294457, -0.002742, 2.772886, 15.804613, -0.013],
'Nd3+':[ 17.120077, 56.038139, 21.468307, 10.000671, 2.905866, -50.541992, 0.291295, 0.001421, 2.743681, 14.581367, 22.485],
'Pm3+':[ 22.221066, 17.068142, 12.805423, 0.435687, 52.238770, -46.767181, 2.635767, 0.277039, 14.927315, 45.768017, 0.001],
'Sm3+':[ 15.618565, 19.538092, 13.398946, -4.358811, 24.490461, -9.714854, 0.006001, 0.306379, 14.979594, 0.748825, 2.454],
'Eu2+':[ 23.899035, 31.657497, 12.955752, 1.700576, 16.992199, -26.204315, 2.467332, 0.002230, 13.625002, 35.089481, 0.253],
'Eu3+':[ 17.758327, 33.498665, 24.067188, 13.436883, -9.019134, -19.768026, 0.244474, -0.003901, 2.487526, 14.568011, -0.015],
'Gd3+':[ 24.344999, 16.945311, 13.866931, 0.481674, 93.506378, -88.147179, 2.333971, 0.239215, 12.982995, 43.876347, 0.000],
'Tb3+':[ 24.878252, 16.856016, 13.663937, 1.279671, 39.271294, -33.950317, 2.223301, 0.227290, 11.812528, 29.910065, 0.001],
'Dy3+':[ 16.864344, 90.383461, 13.675473, 1.687078, 25.540651, -85.150650, 0.216275, 0.000593, 11.121207, 26.250975, 2.135],
'Ho3+':[ 16.837524, 63.221336, 13.703766, 2.061602, 26.202621, -58.026505, 0.206873, 0.000796, 10.500283, 24.031883, 2.055],
'Er3+':[ 16.810127, 22.681061, 13.864114, 2.294506, 26.864477, -17.513460, 0.198293, 0.002126, 9.973341, 22.836388, 1.979],
'Tm3+':[ 16.787500, 15.350905, 14.182357, 2.299111, 27.573771, -10.192087, 0.190852, 0.003036, 9.602934, 22.526880, 1.912],
'Yb2+':[ 28.443794, 16.849527, 14.165081, 3.445311, 28.308853, -23.214935, 1.863896, 0.183811, 9.225469, 23.691355, 0.001],
'Yb3+':[ 28.191629, 16.828087, 14.167848, 2.744962, 23.171774, -18.103676, 1.842889, 0.182788, 9.045957, 20.799847, 0.001],
'Lu3+':[ 28.828693, 16.823227, 14.247617, 3.079559, 25.647667, -20.626528, 1.776641, 0.175560, 8.575531, 19.693701, 0.001],
'Hf4+':[ 29.267378, 16.792543, 14.785310, 2.184128, 23.791996, -18.820383, 1.697911, 0.168313, 8.190025, 18.277578, 0.001],
'Ta5+':[ 29.539469, 16.741854, 15.182070, 1.642916, 16.437447, -11.542459, 1.612934, 0.160460, 7.654408, 17.070732, 0.001],
'W6+ ':[ 29.729357, 17.247808, 15.184488, 1.154652, 0.739335, 3.945157, 1.501648, 0.140803, 6.880573, 14.299601, 14.299],
'Os4+':[ 17.113485, 15.792370, 23.342392, 4.090271, 7.671292, 3.988390, 0.131850, 7.288542, 1.389307, 19.629425, 1.389],
'Ir3+':[ 31.537575, 16.363338, 15.597141, 5.051404, 1.436935, 4.009459, 1.334144, 7.451918, 0.127514, 21.705648, 0.127],
'Ir4+':[ 30.391249, 16.146996, 17.019068, 4.458904, 0.975372, 4.006865, 1.328519, 7.181766, 0.127337, 19.060146, 1.328],
'Pt2+':[ 31.986849, 17.249048, 15.269374, 5.760234, 1.694079, 4.032512, 1.281143, 7.625512, 0.123571, 24.190826, 0.123],
'Pt4+':[ 41.932713, 16.339224, 17.653894, 6.012420, -12.036877, 4.094551, 1.111409, 6.466086, 0.128917, 16.954155, 0.778],
'Au1+':[ 32.124306, 16.716476, 16.814100, 7.311565, 0.993064, 4.040792, 1.216073, 7.165378, 0.118715, 20.442486, 53.095],
'Au3+':[ 31.704271, 17.545767, 16.819551, 5.522640, 0.361725, 4.042679, 1.215561, 7.220506, 0.118812, 20.050970, 1.215],
'Hg1+':[ 28.866837, 19.277540, 16.776051, 6.281459, 3.710289, 4.068430, 1.173967, 7.583842, 0.115351, 29.055994, 1.173],
'Hg2+':[ 32.411079, 18.690371, 16.711773, 9.974835, -3.847611, 4.052869, 1.162980, 7.329806, 0.114518, 22.009489, 22.009],
'Tl1+':[ 32.295044, 16.570049, 17.991013, 1.535355, 7.554591, 4.054030, 1.101544, 0.110020, 6.528559, 52.495068, 20.338],
'Tl3+':[ 32.525639, 19.139185, 17.100321, 5.891115, 12.599463, -9.256075, 1.094966, 6.900992, 0.103667, 18.489614, -0.001],
'Pb2+':[ 27.392647, 16.496822, 19.984501, 6.813923, 5.233910, 4.065623, 1.058874, 0.106305, 6.708123, 24.395554, 1.058],
'Pb4+':[ 32.505657, 20.014240, 14.645661, 5.029499, 1.760138, 4.044678, 1.047035, 6.670321, 0.105279, 16.525040, 0.105],
'Bi3+':[ 32.461437, 19.438683, 16.302486, 7.322662, 0.431704, 4.043703, 0.997930, 6.038867, 0.101338, 18.371586, 46.361],
'Bi5+':[ 16.734028, 20.580494, 9.452623, 61.155834, -34.041023, 4.113663, 0.105076, 4.773282, 11.762162, 1.211775, 1.619],
'Ra2+':[ 4.986228, 32.474945, 21.947443, 11.800013, 10.807292, 3.956572, 0.082597, 0.791468, 4.608034, 24.792431, 0.082],
'Ac3+':[ 15.584983, 32.022125, 21.456327, 0.757593, 12.341252, 3.838984, 0.077438, 0.739963, 4.040735, 47.525002, 19.406],
'Th4+':[ 15.515445, 32.090691, 13.996399, 12.918157, 7.635514, 3.831122, 0.074499, 0.711663, 3.871044, 18.596891, 3.871],
'U3+ ':[ 15.360309, 32.395657, 21.961290, 1.325894, 14.251453, 3.706622, 0.067815, 0.654643, 3.643409, 39.604965, 16.330],
'U4+ ':[ 15.355091, 32.235306, 0.557745, 14.396367, 21.751173, 3.705863, 0.067789, 0.652613, 42.354237, 15.908239, 3.553],
'U6+ ':[ 15.333844, 31.770849, 21.274414, 13.872636, 0.048519, 3.700591, 0.067644, 0.646384, 3.317894, 14.650250, 75.339],
'Np3+':[ 15.378152, 32.572132, 22.206125, 1.413295, 14.828381, 3.603370, 0.064613, 0.631420, 3.561936, 37.875511, 15.546],
'Np4+':[ 15.373926, 32.423019, 21.969994, 0.662078, 14.969350, 3.603039, 0.064597, 0.629658, 3.476389, 39.438942, 15.135],
'Np6+':[ 15.359986, 31.992825, 21.412458, 0.066574, 14.568174, 3.600942, 0.064528, 0.624505, 3.253441, 67.658318, 13.980],
'Pu3+':[ 15.356004, 32.769127, 22.680210, 1.351055, 15.416232, 3.428895, 0.060590, 0.604663, 3.491509, 37.260635, 14.981],
'Pu4+':[ 15.416219, 32.610569, 22.256662, 0.719495, 15.518152, 3.480408, 0.061456, 0.607938, 3.411848, 37.628792, 14.464],
'Pu6+':[ 15.436506, 32.289719, 14.726737, 15.012391, 7.024677, 3.502325, 0.061815, 0.606541, 3.245363, 13.616438, 3.245],
}
# Parametrization of incoherently scattered X-ray intensities vs sin(theta)/lambda.
#
# This file contains the tabulated coefficients for calculation
# of Compton Cross Section as a function of sin(theta)/lambda, being
# theta=scattering angle, and lambda=photon wavelength.
# REFERENCE:
# Analytic Approximations to Incoherently Scattered X-Ray Intensities
# by H.H.M. Balyuzi (Acta Cryst. (1975). A31, 600
#
# This is the abstract from the mentioned paper:
# The theoretically calculated incoherently scattered X-ray intensities of
# Cromer & Mann [j. Chem. Phys. (1967). 47, 1892-1893] and Cromer [J. Chem.
# Phys. (1969). 50, 4857-4859] for the elements 2 to 95 and 102 have been
# fitted to analytic function. The coefficients of the fit are tabulated
# and the accurance of the fitting is discussed. The accuracy is very good
# for sin(theta)/Lambda<=1.4 A^(-1)
#
# The analytical function is:
# Compton[s] = Z-[SUM a_i*EXP(-b_i*(s^2)) ]
# i=1,5
#
# where s = sin(theta)/lambda, and a_i and b_i are the tabulated coefficients.
# Coefficients for elements Cm-Cf simply copied from those for Am
# Column description: Z a1 a2 a3 a4 a5 b1 b2 b3 b4 b5
Compton = {
'H' :[ 1.0, 0.2623, 0.5094, 0.2034, 0.0249, 0.0000, 32.3717, 14.7084, 6.6884, 2.4843, 0.0000],
'He':[ 2.0, 0.5246, 1.0188, 0.4068, 0.0498, 0.0000, 32.3717, 14.7084, 6.6884, 2.4843, 0.0000],
'Li':[ 3.0, 0.0518, 0.9578, 0.7348, 1.0817, 0.1740, 533.922, 245.845, 10.1831, 4.4364, 1.5031],
'Be':[ 4.0, 0.4634, 1.5592, 0.7685, 1.0623, 0.1470, 185.856, 104.601, 4.8589, 2.1932, 0.7641],
'B' :[ 5.0, 0.9046, 1.9822, 0.2279, 1.4873, 0.3979, 104.961, 46.0191, 8.9873, 1.9674, 0.6778],
'C' :[ 6.0, 0.7568, 2.5511, 0.7051, 1.4605, 0.5263, 82.2385, 31.7282, 11.9471, 1.4637, 0.5150],
'N' :[ 7.0, 0.9070, 2.8972, 1.1659, 1.5526, 0.4769, 64.1555, 20.8507, 7.7576, 1.0335, 0.3516],
'O' :[ 8.0, 0.8847, 3.2189, 1.7990, 1.5538, 0.5434, 52.0063, 16.4487, 6.5958, 0.8143, 0.2815],
'F' :[ 9.0, 0.9756, 3.5101, 2.3561, 1.5896, 0.5683, 41.7194, 12.7747, 5.2945, 0.6470, 0.2254],
'Ne':[ 10.0, 1.1544, 3.8033, 2.8085, 1.6647, 0.5687, 34.2567, 9.76720, 4.0375, 0.5256, 0.1800],
'Na':[ 11.0, 1.0243, 2.0704, 5.3197, 1.5214, 1.0637, 293.411, 15.2373, 4.4697, 0.6246, 0.1922],
'Mg':[ 12.0, 2.0049, 1.9449, 5.4291, 1.6315, 0.9888, 178.983, 11.2433, 3.4272, 0.4907, 0.1542],
'Al':[ 13.0, 2.6790, 1.2336, 5.9358, 1.6622, 1.4835, 121.363, 16.0728, 3.2632, 0.6616, 0.1586],
'Si':[ 14.0, 2.1006, 2.2025, 5.3063, 2.5162, 1.8716, 116.957, 34.7760, 3.3215, 0.9933, 0.1553],
'P' :[ 15.0, 1.8936, 3.3782, 5.3752, 2.4942, 1.8564, 108.033, 26.6586, 2.6865, 0.7973, 0.1333],
'S' :[ 16.0, 2.0717, 4.2023, 5.6883, 2.2623, 1.7735, 86.7211, 21.4574, 2.1255, 0.5882, 0.1128],
'Cl':[ 17.0, 2.1221, 5.0905, 5.6885, 2.2809, 1.8164, 73.8395, 17.9756, 1.8037, 0.5162, 0.1008],
'Ar':[ 18.0, 2.1778, 5.9791, 5.6104, 2.3442, 1.8873, 65.6187, 14.4380, 1.5611, 0.4716, 0.0914],
'K' :[ 19.0, 1.0863, 2.8562, 5.6616, 6.7809, 2.6145, 425.474, 35.7249, 9.3261, 1.0206, 0.1036],
'Ca':[ 20.0, 2.0554, 2.7251, 5.9104, 6.7171, 2.5916, 289.862, 28.7190, 7.4788, 0.8644, 0.0920],
'Sc':[ 21.0, 2.1608, 2.9545, 6.5125, 6.7745, 2.5969, 251.387, 26.8528, 6.4238, 0.7616, 0.0831],
'Ti':[ 22.0, 2.1983, 3.2282, 7.0649, 6.8832, 2.6243, 226.968, 24.9306, 5.6213, 0.6865, 0.0758],
'V' :[ 23.0, 2.2399, 3.4348, 7.6412, 7.0270, 2.6558, 206.399, 22.9026, 4.9366, 0.6256, 0.0697],
'Cr':[ 24.0, 1.5893, 3.6692, 8.7249, 7.2913, 2.7226, 196.584, 25.2663, 4.5848, 0.5876, 0.0650],
'Mn':[ 25.0, 2.3156, 3.7420, 8.8241, 7.3811, 2.7355, 174.656, 19.5879, 3.8896, 0.5326, 0.0597],
'Fe':[ 26.0, 2.3141, 3.9729, 9.2624, 7.5083, 2.9404, 164.104, 18.2898, 3.5861, 0.5155, 0.0597],
'Co':[ 27.0, 2.3636, 4.4188, 9.7350, 7.6872, 2.7927, 151.337, 16.0770, 3.1445, 0.4553, 0.0514],
'Ni':[ 28.0, 2.4174, 4.7076, 10.2289, 7.8357, 2.8071, 139.963, 14.5797, 2.8142, 0.4203, 0.0476],
'Cu':[ 29.0, 1.7532, 4.8167, 11.2836, 8.2460, 2.8943, 127.251, 16.9194, 2.7458, 0.4076, 0.0454],
'Zn':[ 30.0, 2.4474, 5.1080, 11.4407, 8.1791, 2.8211, 125.083, 12.8443, 2.3122, 0.3605, 0.0410],
'Ga':[ 31.0, 3.0360, 5.1760, 11.6692, 8.2940, 2.8148, 104.577, 11.2803, 2.0663, 0.3314, 0.0380],
'Ge':[ 32.0, 3.4795, 5.2306, 11.9324, 8.5063, 2.8388, 87.5304, 10.8491, 1.9060, 0.3107, 0.0356],
'As':[ 33.0, 3.3385, 5.6229, 12.2449, 8.8668, 2.9138, 82.4879, 12.0723, 1.8317, 0.2996, 0.0341],
'Se':[ 34.0, 3.5333, 5.9644, 12.4403, 9.1212, 2.9289, 73.4400, 12.2369, 1.7151, 0.2824, 0.0318],
'Br':[ 35.0, 3.4898, 6.5641, 12.5318, 9.3877, 3.0170, 68.5438, 12.5940, 1.6235, 0.2712, 0.0308],
'Kr':[ 36.0, 3.0598, 7.6671, 12.5852, 9.6168, 3.0647, 70.8068, 12.6449, 1.5230, 0.2577, 0.0294],
'Rb':[ 37.0, 2.3770, 8.6605, 12.5729, 10.1507, 3.2083, 178.867, 13.9200, 1.5224, 0.2567, 0.0289],
'Sr':[ 38.0, 3.0740, 8.8344, 12.5145, 10.3129, 3.2433, 210.803, 12.3784, 1.4148, 0.2424, 0.0275],
'Y' :[ 39.0, 3.5086, 9.2574, 12.4297, 10.4962, 3.2840, 177.423, 11.0509, 1.3242, 0.2300, 0.0263],
'Zr':[ 40.0, 3.8436, 9.6980, 12.3352, 10.7459, 3.3493, 152.274, 10.0161, 1.2610, 0.2206, 0.0254],
'Nb':[ 41.0, 3.7519, 10.5738, 12.2251, 10.9745, 3.4425, 117.449, 8.9975, 1.2044, 0.2127, 0.0248],
'Mo':[ 42.0, 3.9567, 11.1228, 12.1674, 11.2328, 3.4857, 105.180, 8.0754, 1.1551, 0.2038, 0.0237],
'Tc':[ 43.0, 4.3317, 10.7065, 12.1316, 12.0687, 3.7296, 115.939, 7.9151, 1.2769, 0.2105, 0.0240],
'Ru':[ 44.0, 4.7308, 12.0616, 11.9367, 11.6021, 3.6225, 77.6118, 6.4667, 1.0431, 0.1877, 0.0223],
'Rh':[ 45.0, 4.8745, 12.2804, 12.0133, 12.0245, 3.7592, 71.5772, 6.1701, 1.0589, 0.1853, 0.0220],
'Pd':[ 46.0, 5.4847, 13.7150, 11.6608, 11.4709, 3.6545, 53.2508, 4.9329, 0.8575, 0.1655, 0.0206],
'Ag':[ 47.0, 5.3490, 13.4127, 11.9402, 12.3201, 3.9205, 58.9663, 5.0548, 0.9684, 0.1715, 0.0210],
'Cd':[ 48.0, 4.5224, 9.6282, 14.9509, 14.2066, 4.6563, 87.3897, 7.7119, 1.5820, 0.2036, 0.0234],
'In':[ 49.0, 4.7031, 8.2361, 16.4206, 14.6608, 4.9493, 89.2096, 8.9965, 1.7229, 0.2062, 0.0238],
'Sn':[ 50.0, 4.9677, 7.4873, 17.4268, 14.9229, 5.1678, 83.2133, 10.1130, 1.7605, 0.2042, 0.0237],
'Sb':[ 51.0, 4.6001, 7.4399, 18.3475, 15.1777, 5.4096, 82.5070, 12.5902, 1.7906, 0.2029, 0.0238],
'Te':[ 52.0, 4.5671, 7.7178, 18.8338, 15.2844, 5.5769, 79.7245, 13.8028, 1.7411, 0.1976, 0.0235],
'I' :[ 53.0, 4.3147, 8.3728, 19.1961, 15.3645, 5.7365, 78.6996, 14.9421, 1.6795, 0.1921, 0.0232],
'Xe':[ 54.0, 3.4467, 19.4724, 9.7473, 15.4210, 5.9034, 88.3050, 1.6131, 16.1669, 0.1869, 0.0229],
'Cs':[ 55.0, 2.5751, 19.7181, 11.0138, 15.5312, 6.1374, 224.598, 1.5722, 17.7908, 0.1845, 0.0229],
'Ba':[ 56.0, 3.2477, 19.7824, 11.2142, 15.4790, 6.2602, 266.593, 1.4758, 16.2710, 0.1775, 0.0225],
'La':[ 57.0, 3.6683, 11.7149, 19.8077, 15.4015, 6.3860, 224.726, 14.7472, 1.3823, 0.1708, 0.0222],
'Ce':[ 58.0, 3.7218, 12.0076, 20.1925, 15.4540, 6.5996, 212.566, 14.0417, 1.3272, 0.1681, 0.0221],
'Pr':[ 59.0, 3.6287, 11.9193, 20.8823, 15.6425, 6.8971, 208.103, 13.8486, 1.3025, 0.1690, 0.0222],
'Nd':[ 60.0, 3.7229, 12.0836, 21.2664, 15.7405, 7.1521, 194.998, 13.2282, 1.2573, 0.1677, 0.0222],
'Pm':[ 61.0, 3.8009, 12.2546, 21.6281, 15.8659, 7.4126, 184.340, 12.6793, 1.2139, 0.1669, 0.0222],
'Sm':[ 62.0, 3.8533, 12.3520, 22.0136, 16.0323, 7.7082, 176.392, 12.2878, 1.1810, 0.1672, 0.0223],
'Eu':[ 63.0, 3.9234, 12.4961, 22.3133, 16.2152, 8.0085, 167.816, 11.8294, 1.1433, 0.1676, 0.0224],
'Gd':[ 64.0, 4.1100, 13.0008, 22.2962, 16.2937, 8.2594, 160.859, 11.0492, 1.0914, 0.1659, 0.0223],
'Tb':[ 65.0, 4.1589, 13.2197, 22.4627, 16.5329, 8.5842, 155.186, 10.6407, 1.0667, 0.1674, 0.0224],
'Dy':[ 66.0, 4.0415, 13.1038, 22.8132, 17.0066, 8.9849, 150.058, 10.6511, 1.0708, 0.1723, 0.0227],
'Ho':[ 67.0, 4.0620, 13.2132, 22.9351, 17.3999, 9.3388, 145.976, 10.3972, 1.0569, 0.1752, 0.0228],
'Er':[ 68.0, 4.0815, 13.3282, 22.9865, 17.8548, 9.6967, 142.072, 10.1525, 1.0438, 0.1785, 0.0229],
'Tm':[ 69.0, 4.7416, 13.2875, 23.1429, 17.9215, 9.8935, 100.170, 9.0676, 0.9833, 0.1753, 0.0227],
'Yb':[ 70.0, 4.1014, 13.4586, 22.9675, 18.9998, 10.4188, 135.833, 9.8125, 1.0290, 0.1860, 0.0231],
'Lu':[ 71.0, 4.3261, 13.8638, 22.6992, 19.3649, 10.6986, 133.360, 9.1664, 0.9951, 0.1861, 0.0230],
'Hf':[ 72.0, 4.5759, 14.3292, 22.3741, 19.7027, 10.9720, 124.501, 8.5195, 0.9599, 0.1857, 0.0229],
'Ta':[ 73.0, 4.7416, 14.9284, 22.0214, 20.0290, 11.2347, 117.648, 7.9070, 0.9250, 0.1850, 0.0227],
'W' :[ 74.0, 4.8423, 15.6421, 21.6701, 20.3207, 11.4817, 112.694, 7.3551, 0.8892, 0.1837, 0.0226],
'Re':[ 75.0, 5.0015, 16.3874, 21.3263, 20.5247, 11.7163, 106.001, 6.7592, 0.8491, 0.1817, 0.0224],
'Os':[ 76.0, 5.3630, 17.5066, 23.3197, 20.9425, 8.8158, 93.6155, 6.0569, 0.7156, 0.1373, 0.0127],
'Ir':[ 77.0, 5.0953, 15.4321, 15.5924, 26.5617, 14.2784, 98.2594, 6.9463, 1.2550, 0.2600, 0.0242],
'Pt':[ 78.0, 5.6451, 18.8015, 20.6881, 20.5266, 12.2868, 69.2677, 5.3127, 0.7107, 0.1702, 0.0216],
'Au':[ 79.0, 5.8170, 19.5635, 20.3716, 20.6837, 12.5114, 65.4079, 4.9469, 0.6809, 0.1680, 0.0214],
'Hg':[ 80.0, 5.9389, 19.4946, 19.0547, 22.4442, 13.0069, 74.0107, 4.9118, 0.7375, 0.1779, 0.0216],
'Tl':[ 81.0, 6.5803, 19.6010, 18.3955, 23.0433, 13.3134, 69.9997, 4.6032, 0.7312, 0.1787, 0.0216],
'Pb':[ 82.0, 7.3754, 19.7974, 18.0002, 23.2605, 13.4943, 62.4634, 4.2561, 0.7021, 0.1757, 0.0213],
'Bi':[ 83.0, 8.2324, 20.0183, 17.6603, 23.3246, 13.6777, 53.0479, 3.9249, 0.6675, 0.1722, 0.0210],
'Po':[ 84.0, 9.0662, 20.1395, 23.6273, 17.1872, 13.8913, 48.3272, 3.6624, 0.1701, 0.6471, 0.0208],
'At':[ 85.0, 9.9223, 20.2544, 23.9015, 16.7271, 14.1028, 43.7514, 3.4229, 0.1680, 0.6271, 0.0206],
'Rn':[ 86.0,10.7789, 20.3926, 16.3720, 24.0637, 14.2879, 38.6121, 3.2050, 0.6037, 0.1650, 0.0203],
'Fr':[ 87.0, 2.5332, 11.5319, 24.7459, 31.9247, 16.2475, 269.878, 21.9610, 2.0716, 0.2243, 0.0223],
'Ra':[ 88.0, 3.2249, 11.6694, 24.8687, 31.8957, 16.3306, 321.663, 20.3846, 1.9730, 0.2166, 0.0219],
'Ac':[ 89.0, 3.6207, 12.1269, 24.9363, 31.8798, 16.4227, 270.774, 18.9025, 1.8811, 0.2095, 0.0215],
'Th':[ 90.0, 4.0181, 12.6119, 24.9621, 31.8646, 16.5249, 232.371, 17.3825, 1.7950, 0.2030, 0.0211],
'Pa':[ 91.0, 3.7926, 12.6626, 25.8795, 31.9403, 16.7045, 236.803, 17.5908, 1.7607, 0.1984, 0.0209],
'U' :[ 92.0, 3.9051, 12.8415, 26.4298, 31.9514, 16.8475, 221.178, 16.8737, 1.7008, 0.1932, 0.0205],
'Np':[ 93.0, 4.0333, 12.9014, 26.7571, 31.4732, 17.8065, 207.727, 16.3175, 1.6677, 0.1954, 0.0220],
'Pu':[ 94.0, 4.2695, 12.5662, 28.0362, 31.9382, 17.1487, 185.955, 15.5936, 1.5914, 0.1834, 0.0200],
'Am':[ 95.0, 4.3981, 12.6808, 28.6781, 31.9085, 17.2883, 174.359, 14.9676, 1.5304, 0.1786, 0.0197],
'Cm':[ 96.0, 4.3981, 12.6808, 28.6781, 31.9085, 17.2883, 174.359, 14.9676, 1.5304, 0.1786, 0.0197],
'Bk':[ 97.0, 4.3981, 12.6808, 28.6781, 31.9085, 17.2883, 174.359, 14.9676, 1.5304, 0.1786, 0.0197],
'Cf':[ 98.0, 4.3981, 12.6808, 28.6781, 31.9085, 17.2883, 174.359, 14.9676, 1.5304, 0.1786, 0.0197]
}