#include namespace cctbx { namespace eltbx { namespace electron_scattering { namespace { /* peng1996_raw_table contains the reformatted data 2008-06-30, translated by L. Lutterotti from L.-M. PENG, G. REN, S. L. DUDAREV & M. J. WHELAN Robust Parameterization of Elastic and Absorptive Electron Atomic Scattering Factors J. Appl. Cryst. A52, 257-276 1996 and L.-M. PENG Electron Scattering Factors of Ions and their Parameterization J. Appl. Cryst. A54, 481-485 1998 Electron scattering factors for atoms up to 6.0 Angstrom^-1 */ static const xray_scattering::detail::raw_table_entry<5> peng1996_raw_table[] = { // BEGIN_COMPILED_IN_REFERENCE_DATA { "H", { 0.0088, 0.0449, 0.1481, 0.2356, 0.0914 }, { 0.1152, 1.0867, 4.9755, 16.5591, 43.2743 }, 0 }, { "He", { 0.0084, 0.0443, 0.1314, 0.1671, 0.0666 }, { 0.0596, 0.536, 2.4274, 7.7852, 20.3126 }, 0 }, { "Li", { 0.0478, 0.2048, 0.5253, 1.5225, 0.9853 }, { 0.2258, 2.1032, 12.9349, 50.7501, 136.628 }, 0 }, { "Be", { 0.0423, 0.1874, 0.6019, 1.4311, 0.7891 }, { 0.1445, 1.418, 8.1165, 27.9705, 74.8684 }, 0 }, { "B", { 0.0436, 0.1898, 0.6788, 1.3273, 0.5544 }, { 0.1207, 1.1595, 6.2474, 21.046, 59.3619 }, 0 }, { "C", { 0.0489, 0.2091, 0.7537, 1.142, 0.3555 }, { 0.114, 1.0825, 5.4281, 17.8811, 51.1341 }, 0 }, { "N", { 0.0267, 0.1328, 0.5301, 1.102, 0.4215 }, { 0.0541, 0.5165, 2.8207, 10.6297, 34.3764 }, 0 }, { "O", { 0.0365, 0.1729, 0.5805, 0.8814, 0.3121 }, { 0.0652, 0.6184, 2.9449, 9.6298, 28.2194 }, 0 }, { "F", { 0.0382, 0.1822, 0.5972, 0.7707, 0.213 }, { 0.0613, 0.5753, 2.6858, 8.8214, 25.6668 }, 0 }, { "Ne", { 0.038, 0.1785, 0.5494, 0.6942, 0.1918 }, { 0.0554, 0.5087, 2.2639, 7.3316, 21.6912 }, 0 }, { "Na", { 0.126, 0.6442, 0.8893, 1.8197, 1.2988 }, { 0.1684, 1.715, 8.8386, 50.8265, 147.2073 }, 0 }, { "Mg", { 0.113, 0.5575, 0.9046, 2.158, 1.4735 }, { 0.1356, 1.3579, 6.9255, 32.3165, 92.113 }, 0 }, { "Al", { 0.1165, 0.5504, 1.0179, 2.6295, 1.5711 }, { 0.1295, 1.2619, 6.8242, 28.4577, 88.475 }, 0 }, { "Si", { 0.0567, 0.3365, 0.8104, 2.496, 2.1186 }, { 0.0582, 0.6155, 3.2522, 16.7929, 57.6767 }, 0 }, { "P", { 0.1005, 0.4615, 1.0663, 2.5854, 1.2725 }, { 0.0977, 0.9084, 4.9654, 18.5471, 54.3648 }, 0 }, { "S", { 0.0915, 0.4312, 1.0847, 2.4671, 1.0852 }, { 0.0838, 0.7788, 4.3462, 15.5846, 44.63655 }, 0 }, { "Cl", { 0.0799, 0.3891, 1.0037, 2.3332, 1.0507 }, { 0.0694, 0.6443, 3.5351, 12.5058, 35.8633 }, 0 }, { "Ar", { 0.1044, 0.4551, 1.4232, 2.1533, 0.4459 }, { 0.0853, 0.7701, 4.4684, 14.5864, 41.2474 }, 0 }, { "K", { 0.2149, 0.8703, 2.4999, 2.3591, 3.0318 }, { 0.166, 1.6906, 8.7447, 46.7825, 165.6923 }, 0 }, { "Ca", { 0.2355, 0.9916, 2.3959, 3.7252, 2.5647 }, { 0.1742, 1.8329, 8.8407, 47.4583, 134.9613 }, 0 }, { "Sc", { 0.4636, 2.0802, 2.9003, 1.4193, 2.4323 }, { 0.3682, 4.0312, 22.6493, 71.82, 103.3691 }, 0 }, { "Ti", { 0.2123, 0.896, 2.1765, 3.0436, 2.4439 }, { 0.1399, 1.4568, 6.7534, 33.1168, 101.8238 }, 0 }, { "V", { 0.2369, 1.0774, 2.1894, 3.0825, 1.719 }, { 0.1505, 1.6392, 7.5691, 36.8741, 107.8517 }, 0 }, { "Cr", { 0.197, 0.8228, 2.02, 2.1717, 1.7516 }, { 0.1197, 1.1985, 5.4097, 25.2361, 94.429 }, 0 }, { "Mn", { 0.1943, 0.819, 1.9296, 2.4968, 2.0625 }, { 0.1135, 1.1313, 5.0341, 24.1798, 80.5598 }, 0 }, { "Fe", { 0.1929, 0.8239, 1.8689, 2.3694, 1.906 }, { 0.1087, 1.0806, 4.7637, 22.85, 76.7309 }, 0 }, { "Co", { 0.2186, 0.9861, 1.854, 2.3258, 1.4685 }, { 0.1182, 1.23, 5.4177, 25.7602, 80.8542 }, 0 }, { "Ni", { 0.2313, 1.0657, 1.8229, 2.2609, 1.1883 }, { 0.121, 1.2691, 5.687, 27.0917, 83.0285 }, 0 }, { "Cu", { 0.3501, 1.6558, 1.9582, 0.2134, 1.4109 }, { 0.1867, 1.9917, 11.3396, 53.2619, 63.252 }, 0 }, { "Zn", { 0.178, 0.8096, 1.6744, 1.9499, 1.4495 }, { 0.0876, 0.865, 3.8612, 18.8726, 64.7016 }, 0 }, { "Ga", { 0.2135, 0.9768, 1.6669, 2.5662, 1.679 }, { 0.102, 1.0219, 4.6275, 22.8742, 80.1535 }, 0 }, { "Ge", { 0.2135, 0.9761, 1.6555, 2.8938, 1.6356 }, { 0.0989, 0.9845, 4.5527, 21.5563, 70.3903 }, 0 }, { "As", { 0.2059, 0.9518, 1.6372, 3.049, 1.4756 }, { 0.0926, 0.9182, 4.3291, 19.2996, 58.9329 }, 0 }, { "Se", { 0.1574, 0.7614, 1.4834, 3.0016, 1.7978 }, { 0.0686, 0.6808, 3.1163, 14.3458, 44.0455 }, 0 }, { "Br", { 0.1899, 0.8983, 1.6358, 3.1845, 1.15183 }, { 0.081, 0.7957, 3.9054, 15.7701, 45.6124 }, 0 }, { "Kr", { 0.1742, 0.8447, 1.5944, 3.1507, 1.1338 }, { 0.0723, 0.7123, 3.5192, 13.7724, 39.1148 }, 0 }, { "Rb", { 0.3781, 1.4904, 3.5753, 3.0031, 3.3272 }, { 0.1557, 1.5347, 9.9947, 51.4251, 185.9828 }, 0 }, { "Sr", { 0.3723, 1.4598, 3.5124, 4.4612, 3.3031 }, { 0.148, 1.4643, 9.232, 49.8807, 148.0937 }, 0 }, { "Y", { 0.3234, 1.2737, 3.2115, 4.0563, 3.7962 }, { 0.1244, 1.1948, 7.2756, 34.143, 111.2079 }, 0 }, { "Zr", { 0.2997, 1.1879, 3.1075, 3.974, 3.5769 }, { 0.1121, 1.0638, 6.3891, 28.7081, 97.4289 }, 0 }, { "Nb", { 0.168, 0.937, 2.73, 3.815, 3.0053 }, { 0.0597, 0.6524, 4.4317, 19.554, 85.5011 }, 0 }, { "Mo", { 0.3069, 1.1714, 3.2293, 3.4254, 2.1224 }, { 0.1101, 1.0222, 5.9613, 25.1965, 93.5831 }, 0 }, { "Tc", { 0.2928, 1.1267, 3.1675, 3.6619, 2.5942 }, { 0.102, 0.9481, 5.4713, 23.8153, 82.8991 }, 0 }, { "Ru", { 0.2604, 1.0442, 3.0761, 3.2175, 1.9448 }, { 0.0887, 0.824, 4.8278, 19.8977, 80.4566 }, 0 }, { "Rh", { 0.2713, 1.0556, 3.1416, 3.0451, 1.7179 }, { 0.0907, 0.8324, 4.7702, 19.7862, 80.254 }, 0 }, { "Pd", { 0.2003, 0.8779, 2.6135, 2.8594, 1.0258 }, { 0.0659, 0.6111, 3.5563, 12.7638, 44.4283 }, 0 }, { "Ag", { 0.2739, 1.0503, 3.1564, 2.7543, 1.4328 }, { 0.0881, 0.8028, 4.4451, 18.7011, 79.2633 }, 0 }, { "Cd", { 0.3072, 1.1303, 3.2046, 2.9329, 1.656 }, { 0.0966, 0.8856, 4.6273, 20.6789, 73.4723 }, 0 }, { "In", { 0.3564, 1.3011, 3.2424, 3.4839, 2.0459 }, { 0.1091, 1.0452, 5.09, 24.6578, 88.0513 }, 0 }, { "Sn", { 0.2966, 1.1157, 3.0973, 3.8156, 2.5281 }, { 0.0896, 0.8268, 4.2242, 20.69, 71.3399 }, 0 }, { "Sb", { 0.2725, 1.0651, 2.994, 4.0697, 2.5682 }, { 0.0809, 0.7488, 3.871, 18.88, 60.6499 }, 0 }, { "Te", { 0.2422, 0.9692, 2.8114, 4.1509, 2.8161 }, { 0.0708, 0.6472, 3.3609, 16.0752, 50.1724 }, 0 }, { "I", { 0.2617, 1.0325, 2.8097, 4.4809, 2.319 }, { 0.0749, 0.6914, 3.4634, 16.3603, 48.2522 }, 0 }, { "Xe", { 0.2334, 0.9496, 2.6381, 4.468, 2.502 }, { 0.0655, 0.605, 3.0389, 14.0809, 41.0005 }, 0 }, { "Cs", { 0.5713, 2.4866, 4.9795, 4.0198, 4.4403 }, { 0.1626, 1.8213, 11.1049, 49.0568, 202.9987 }, 0 }, { "Ba", { 0.5229, 2.2874, 4.7243, 5.0807, 5.6389 }, { 0.1434, 1.6019, 9.4511, 42.7685, 148.4969 }, 0 }, { "La", { 0.5461, 2.3856, 5.0653, 5.7601, 4.0463 }, { 0.1479, 1.6552, 10.0059, 47.3245, 145.8464 }, 0 }, { "Ce", { 0.2227, 1.076, 2.9482, 5.8496, 7.1834 }, { 0.0571, 0.5946, 3.2022, 16.4253, 95.703 }, 0 }, { "Pr", { 0.5237, 2.2913, 4.6161, 4.7233, 4.8173 }, { 0.136, 1.5068, 8.8213, 41.9536, 141.2424 }, 0 }, { "Nd", { 0.5368, 2.3301, 4.6058, 4.6621, 4.4622 }, { 0.1378, 1.514, 8.8719, 43.5967, 141.8065 }, 0 }, { "Pm", { 0.5232, 2.2627, 4.4552, 4.4787, 4.5073 }, { 0.1317, 1.4336, 8.3087, 40.601, 135.9196 }, 0 }, { "Sm", { 0.5162, 2.2302, 4.3449, 4.3598, 4.4292 }, { 0.1279, 1.3811, 7.9629, 39.1213, 132.7846 }, 0 }, { "Eu", { 0.5272, 2.2844, 4.3361, 4.3178, 4.0908 }, { 0.1285, 1.3943, 8.1081, 40.9631, 134.1233 }, 0 }, { "Gd", { 0.9664, 3.4052, 5.0803, 1.4991, 4.2528 }, { 0.2641, 2.6586, 16.2213, 80.206, 92.5359 }, 0 }, { "Tb", { 0.511, 2.157, 4.0308, 3.9936, 4.2466 }, { 0.121, 1.2704, 7.1368, 35.0354, 123.5062 }, 0 }, { "Dy", { 0.4974, 2.1097, 3.8906, 3.81, 4.3084 }, { 0.1157, 1.2108, 6.7377, 32.415, 116.9225 }, 0 }, { "Ho", { 0.4679, 1.9693, 3.7191, 3.9632, 4.2432 }, { 0.1069, 1.0994, 5.9769, 27.1491, 96.3119 }, 0 }, { "Er", { 0.5034, 2.1088, 3.8232, 3.7299, 3.8963 }, { 0.1141, 1.1769, 6.6087, 33.4332, 116.4913 }, 0 }, { "Tm", { 0.4839, 2.0262, 3.6851, 3.5874, 4.0037 }, { 0.1081, 1.1012, 6.1114, 30.3728, 110.5988 }, 0 }, { "Yb", { 0.5221, 2.1695, 3.7567, 3.6685, 3.4274 }, { 0.1148, 1.186, 6.752, 35.6807, 118.0692 }, 0 }, { "Lu", { 0.468, 1.9466, 3.5428, 3.849, 3.6594 }, { 0.1015, 1.0195, 5.6058, 27.4899, 95.2846 }, 0 }, { "Hf", { 0.4048, 1.737, 3.3399, 3.9448, 3.7293 }, { 0.0868, 0.8585, 4.6378, 21.69, 80.2408 }, 0 }, { "Ta", { 0.3835, 1.6747, 3.2986, 4.0462, 3.4303 }, { 0.081, 0.802, 4.3545, 19.9644, 73.6337 }, 0 }, { "W", { 0.3661, 1.6191, 3.2455, 4.0856, 3.2064 }, { 0.0761, 0.7543, 4.0952, 18.2886, 68.0967 }, 0 }, { "Re", { 0.3933, 1.6973, 3.4202, 4.1274, 2.6158 }, { 0.0806, 0.7972, 4.4237, 19.5692, 68.7477 }, 0 }, { "Os", { 0.3854, 1.6555, 3.4129, 4.1111, 2.4106 }, { 0.0787, 0.7638, 4.2441, 18.37, 65.1071 }, 0 }, { "Ir", { 0.351, 1.562, 3.2946, 4.0615, 2.4382 }, { 0.0706, 0.6904, 3.8266, 16.0812, 58.7638 }, 0 }, { "Pt", { 0.3083, 1.4158, 2.9662, 3.9349, 2.1709 }, { 0.0609, 0.5993, 3.1921, 12.5285, 49.7675 }, 0 }, { "Au", { 0.3055, 1.3945, 2.9617, 3.899, 2.0026 }, { 0.0596, 0.5827, 3.1035, 11.9693, 47.9106 }, 0 }, { "Hg", { 0.3593, 1.5736, 3.5237, 3.8109, 1.6953 }, { 0.0694, 0.6758, 3.8457, 15.6203, 56.6614 }, 0 }, { "Tl", { 0.3511, 1.5489, 3.5676, 4.09, 2.5251 }, { 0.0672, 0.6522, 3.742, 15.9791, 65.1354 }, 0 }, { "Pb", { 0.354, 1.5453, 3.5975, 4.3152, 2.7743 }, { 0.0668, 0.6465, 3.6968, 16.2056, 61.4909 }, 0 }, { "Bi", { 0.353, 1.5258, 3.5815, 4.5532, 3.0714 }, { 0.0661, 0.6324, 3.5906, 15.9962, 57.576 }, 0 }, { "Po", { 0.3673, 1.5772, 3.7079, 4.8582, 2.844 }, { 0.0678, 0.6527, 3.7396, 17.0668, 55.9789 }, 0 }, { "At", { 0.3547, 1.5206, 3.5621, 5.0184, 3.0075 }, { 0.0649, 0.6188, 3.4696, 15.609, 49.4818 }, 0 }, { "Rn", { 0.4586, 1.7781, 3.9877, 5.7273, 1.546 }, { 0.0831, 0.784, 4.3599, 20.0128, 62.1535 }, 0 }, { "Fr", { 0.8282, 2.9941, 5.6597, 4.9292, 4.2889 }, { 0.1515, 1.6163, 9.7752, 42.848, 190.7366 }, 0 }, { "Ra", { 1.4129, 4.4269, 7.046, -1.0573, 8.643 }, { 0.2921, 3.1381, 19.6767, 102.0436, 113.9798 }, 0 }, { "Ac", { 0.7169, 2.571, 5.1791, 6.3484, 5.6474 }, { 0.1263, 1.29, 7.3686, 32.449, 118.0558 }, 0 }, { "Th", { 0.6958, 2.4936, 5.1269, 6.6988, 5.0799 }, { 0.1211, 1.2247, 6.9398, 30.0991, 105.196 }, 0 }, { "Pa", { 1.2502, 4.2284, 7.0489, 1.139, 5.8222 }, { 0.2415, 2.6442, 16.3313, 73.5757, 91.9401 }, 0 }, { "U", { 0.641, 2.2643, 4.8713, 5.9287, 5.3935 }, { 0.1097, 1.0644, 5.7907, 25.0261, 101.3899 }, 0 }, { "Np", { 0.6938, 2.4652, 5.1227, 5.5965, 4.8543 }, { 0.1171, 1.1757, 6.4053, 27.5217, 103.0482 }, 0 }, { "Pu", { 0.6902, 2.4509, 5.1284, 5.0339, 4.8575 }, { 0.1153, 1.1545, 6.2291, 27.0741, 111.315 }, 0 }, { "Am", { 0.7577, 2.7264, 5.4184, 4.8198, 4.1013 }, { 0.1257, 1.3044, 7.1035, 32.4649, 118.8647 }, 0 }, { "Cm", { 0.7567, 2.7565, 5.4364, 5.1918, 3.5643 }, { 0.1239, 1.2979, 7.0798, 32.7871, 110.1512 }, 0 }, { "Bk", { 0.7492, 2.7267, 5.3521, 5.0369, 3.5321 }, { 0.1217, 1.2651, 6.8101, 31.6088, 106.4853 }, 0 }, { "Cf", { 0.81, 3.0001, 5.4635, 4.1756, 3.5066 }, { 0.131, 1.4038, 7.6057, 34.0186, 90.5226 }, 0 }, // ion now { "H1-", { 1.40E-01, 6.49E-01, 1.37E+00, 3.37E-01, 7.87E-01 }, { 9.84E-01, 8.67E+00, 3.89E+01, 1.11E+02, 1.66E+02 }, 0 }, { "Li1+", { 4.60E-03, 1.65E-02, 4.35E-02, 6.49E-02, 2.70E-02 }, { 3.58E-02, 2.39E-01, 8.79E-01, 2.64E+00, 7.09E+00 }, 0 }, { "Be2+", { 3.40E-03, 1.03E-02, 2.33E-02, 3.25E-02, 1.20E-02 }, { 2.67E-02, 1.62E-01, 5.31E-01, 1.48E+00, 3.88E+00 }, 0 }, { "O1-", { 2.05E-01, 6.28E-01, 1.17E+00, 1.03E+00, 2.90E-01 }, { 3.97E-01, 2.64E+00, 8.80E+00, 2.71E+01, 9.18E+01 }, 0 }, { "O2-", { 4.21E-02, 2.10E-01, 8.52E-01, 1.82E+00, 1.17E+00 }, { 6.09E-02, 5.59E-01, 2.96E+00, 1.15E+01, 3.77E+01 }, 0 }, { "F1-", { 1.34E-01, 3.91E-01, 8.14E-01, 9.28E-01, 3.47E-01 }, { 2.28E-01, 1.47E+00, 4.68E+00, 1.32E+01, 3.60E+01 }, 0 }, { "Na1+", { 2.56E-02, 9.19E-02, 2.97E-01, 5.14E-01, 1.99E-01 }, { 3.97E-02, 2.87E-01, 1.18E+00, 3.75E+00, 1.08E+01 }, 0 }, { "Mg2+", { 2.10E-02, 6.72E-02, 1.98E-01, 3.68E-01, 1.74E-01 }, { 3.31E-02, 2.22E-01, 8.38E-01, 2.48E+00, 6.75E+00 }, 0 }, { "Al3+", { 1.92E-02, 5.79E-02, 1.63E-01, 2.84E-01, 1.14E-01 }, { 3.06E-02, 1.98E-01, 7.13E-01, 2.04E+00, 5.25E+00 }, 0 }, { "Si4+", { 1.92E-01, 2.89E-01, 1.00E-01, -7.28E-02, 1.20E-03 }, { 3.59E-01, 1.96E+00, 9.34E+00, 1.11E+01, 1.34E+01 }, 0 }, { "Cl1-", { 2.65E-01, 5.96E-01, 1.60E+00, 2.69E+00, 1.23E+00 }, { 2.52E-01, 1.56E+00, 6.21E+00, 1.78E+01, 4.78E+01 }, 0 }, { "K1+", { 1.99E-01, 3.96E-01, 9.28E-01, 1.45E+00, 4.50E-01 }, { 1.92E-01, 1.10E+00, 3.91E+00, 9.75E+00, 2.34E+01 }, 0 }, { "Ca2+", { 1.64E-01, 3.27E-01, 7.43E-01, 1.16E+00, 3.07E-01 }, { 1.57E-01, 8.94E-01, 3.15E+00, 7.67E+00, 1.77E+01 }, 0 }, { "Sc3+", { 1.63E-01, 3.07E-01, 7.16E-01, 8.80E-01, 1.39E-01 }, { 1.57E-01, 8.99E-01, 3.06E+00, 7.05E+00, 1.61E+01 }, 0 }, { "Ti2+", { 3.99E-01, 1.04E+00, 1.21E+00, -7.97E-02, 3.52E-01 }, { 3.76E-01, 2.74E+00, 8.10E+00, 1.42E+01, 2.32E+01 }, 0 }, { "Ti3+", { 3.64E-01, 9.19E-01, 1.35E+00, -9.33E-01, 5.89E-01 }, { 3.64E-01, 2.67E+00, 8.18E+00, 1.18E+01, 1.49E+01 }, 0 }, { "Ti4+", { 1.16E-01, 2.56E-01, 5.65E-01, 7.72E-01, 1.32E-01 }, { 1.08E-01, 6.55E-01, 2.38E+00, 5.51E+00, 1.23E+01 }, 0 }, { "V2+", { 3.17E-01, 9.39E-01, 1.49E+00, -1.31E+00, 1.47E+00 }, { 2.69E-01, 2.09E+00, 7.22E+00, 1.52E+01, 1.76E+01 }, 0 }, { "V3+", { 3.41E-01, 8.05E-01, 9.42E-01, 7.83E-02, 1.56E-01 }, { 3.21E-01, 2.23E+00, 5.99E+00, 1.34E+01, 1.69E+01 }, 0 }, { "V5+", { 3.67E-02, 1.24E-01, 2.44E-01, 7.23E-01, 4.35E-01 }, { 3.30E-02, 2.22E-01, 8.24E-01, 2.80E+00, 6.70E+00 }, 0 }, { "Cr2+", { 2.37E-01, 6.34E-01, 1.23E+00, 7.13E-01, 8.59E-02 }, { 1.77E-01, 1.35E+00, 4.30E+00, 1.22E+01, 3.90E+01 }, 0 }, { "Cr3+", { 3.93E-01, 1.05E+00, 1.62E+00, -1.15E+00, 4.07E-01 }, { 3.59E-01, 2.57E+00, 8.68E+00, 1.10E+01, 1.58E+01 }, 0 }, { "Cr4+", { 1.32E-01, 2.92E-01, 7.03E-01, 6.92E-01, 9.59E-02 }, { 1.09E-01, 6.95E-01, 2.39E+00, 5.65E+00, 1.47E+01 }, 0 }, { "Mn2+", { 5.76E-02, 2.10E-01, 6.04E-01, 1.32E+00, 6.59E-01 }, { 3.98E-02, 2.84E-01, 1.29E+00, 4.23E+00, 1.45E+01 }, 0 }, { "Mn3+", { 1.16E-01, 5.23E-01, 8.81E-01, 5.89E-01, 2.14E-01 }, { 1.17E-02, 8.76E-01, 3.06E+00, 6.44E+00, 1.43E+01 }, 0 }, { "Mn4+", { 3.81E-01, 1.83E+00, -1.33E+00, 9.95E-01, 6.18E-02 }, { 3.54E-01, 2.72E+00, 3.47E+00, 5.47E+00, 1.61E+01 }, 0 }, { "Fe2+", { 3.07E-01, 8.38E-01, 1.11E+00, 2.80E-01, 2.77E-01 }, { 2.30E-01, 1.62E+00, 4.87E+00, 1.07E+01, 1.92E+01 }, 0 }, { "Fe3+", { 1.98E-01, 3.87E-01, 8.89E-01, 7.09E-01, 1.17E-01 }, { 1.54E-01, 8.93E-01, 2.62E+00, 6.65E+00, 1.80E+01 }, 0 }, { "Co2+", { 2.13E-01, 4.88E-01, 9.98E-01, 8.28E-01, 2.30E-01 }, { 1.48E-01, 9.39E-01, 2.78E+00, 7.31E+00, 2.07E+01 }, 0 }, { "Co3+", { 3.31E-01, 4.87E-01, 7.29E-01, 6.08E-01, 1.31E-01 }, { 2.67E-01, 1.41E+00, 2.89E+00, 6.45E+00, 1.58E+01 }, 0 }, { "Ni2+", { 3.38E-01, 9.82E-01, 1.32E-02, -3.56E+00, 3.62E+00 }, { 2.37E-01, 1.67E+00, 5.73E+00, 1.14E+01, 1.21E+01 }, 0 }, { "Ni3+", { 3.47E-01, 8.77E-01, 7.90E-01, 5.38E-02, 1.92E-01 }, { 2.60E-01, 1.71E+00, 4.75E+00, 7.51E+00, 1.30E+01 }, 0 }, { "Cu1+", { 3.12E-01, 8.12E-01, 1.11E+00, 7.94E-01, 2.57E-01 }, { 2.01E-01, 1.31E+00, 3.80E+00, 1.05E+01, 2.82E+01 }, 0 }, { "Cu2+", { 2.24E-01, 5.44E-01, 9.70E-01, 7.27E-01, 1.82E-01 }, { 1.45E-01, 9.33E-01, 2.69E+00, 7.11E+00, 1.94E+01 }, 0 }, { "Zn2+", { 2.52E-01, 6.00E-01, 9.17E-01, 6.63E-01, 1.61E-01 }, { 1.61E-01, 1.01E+00, 2.76E+00, 7.08E+00, 1.90E+01 }, 0 }, { "Ga3+", { 3.91E-01, 9.47E-01, 6.90E-01, 7.09E-02, 6.53E-02 }, { 2.64E-01, 1.65E+00, 4.82E+00, 1.07E+01, 1.52E+01 }, 0 }, { "Ge4+", { 3.46E-01, 8.30E-01, 5.99E-01, 9.49E-02, -2.17E-02 }, { 2.32E-01, 1.45E+00, 4.08E+00, 1.32E+01, 2.95E+01 }, 0 }, { "Br1-", { 1.25E-01, 5.63E-01, 1.43E+00, 3.52E+00, 3.22E+00 }, { 5.30E-02, 4.69E-01, 2.15E+00, 1.11E+01, 3.89E+01 }, 0 }, // in the Peng paper there is an error Br+1 instead of Rb+1 { "Rb1+", { 3.68E-01, 8.84E-01, 1.14E+00, 2.26E+00, 8.81E-01 }, { 1.87E-01, 1.12E+00, 3.98E+00, 1.09E+01, 2.66E+01 }, 0 }, { "Sr2+", { 3.46E-01, 8.04E-01, 9.88E-01, 1.89E+00, 6.09E-01 }, { 1.76E-01, 1.04E+00, 3.59E+00, 9.32E+00, 2.14E+01 }, 0 }, { "Y3+", { 4.65E-01, 9.23E-01, 2.41E+00, -2.31E+00, 2.48E+00 }, { 2.40E-01, 1.43E+00, 6.45E+00, 9.97E+00, 1.22E+01 }, 0 }, { "Zr4+", { 2.34E-01, 6.42E-01, 7.47E-01, 1.47E+00, 3.77E-01 }, { 1.13E-01, 7.36E-01, 2.54E+00, 6.72E+00, 1.47E+01 }, 0 }, { "Nb3+", { 3.77E-01, 7.49E-01, 1.29E+00, 1.61E+00, 4.81E-01 }, { 1.84E-01, 1.02E+00, 3.80E+00, 9.44E+00, 2.57E+01 }, 0 }, { "Nb5+", { 8.28E-02, 2.71E-01, 6.54E-01, 1.24E+00, 8.29E-01 }, { 3.69E-02, 2.61E-01, 9.57E-01, 3.94E+00, 9.44E+00 }, 0 }, { "Mo3+", { 4.01E-01, 7.56E-01, 1.38E+00, 1.58E+00, 4.97E-01 }, { 1.91E-01, 1.06E+00, 3.84E+00, 9.38E+00, 2.46E+01 }, 0 }, { "Mo5+", { 4.79E-01, 8.46E-01, 1.56E+01, -1.52E+01, 1.60E+00 }, { 2.41E-01, 1.46E+00, 6.79E+00, 7.13E+00, 1.04E+01 }, 0 }, { "Mo6+", { 2.03E-01, 5.67E-01, 6.46E-01, 1.16E+00, 1.71E-01 }, { 9.71E-02, 6.47E-01, 2.28E+00, 5.61E+00, 1.24E+01 }, 0 }, { "Ru3+", { 4.28E-01, 7.73E-01, 1.55E+00, 1.46E+00, 4.86E-01 }, { 1.91E-01, 1.09E+00, 3.82E+00, 9.08E+00, 2.17E+01 }, 0 }, { "Ru4+", { 2.82E-01, 6.53E-01, 1.14E+00, 1.53E+00, 4.18E-01 }, { 1.25E-01, 7.53E-01, 2.85E+00, 7.01E+00, 1.75E+01 }, 0 }, { "Rh3+", { 3.52E-01, 7.23E-01, 1.50E+00, 1.63E+00, 4.99E-01 }, { 1.51E-01, 8.78E-01, 3.28E+00, 8.16E+00, 2.07E+01 }, 0 }, { "Rh4+", { 3.97E-01, 7.25E-01, 1.51E+00, 1.19E+00, 2.51E-01 }, { 1.77E-01, 1.01E+00, 3.62E+00, 8.56E+00, 1.89E+01 }, 0 }, { "Pd2+", { 9.35E-01, 3.11E+00, 2.46E+01, -4.36E+01, 2.11E+01 }, { 3.93E-01, 4.06E+00, 4.31E+01, 5.40E+01, 6.98E+01 }, 0 }, { "Pd4+", { 3.48E-01, 6.40E-01, 1.22E+00, 1.45E+00, 4.27E-01 }, { 1.51E-01, 8.32E-01, 2.85E+00, 6.59E+00, 1.56E+01 }, 0 }, { "Ag1+", { 5.03E-01, 9.40E-01, 2.17E+00, 1.99E+00, 7.26E-01 }, { 1.99E-01, 1.19E+00, 4.05E+00, 1.13E+01, 3.24E+01 }, 0 }, { "Ag2+", { 4.31E-01, 7.56E-01, 1.72E+00, 1.78E+00, 5.26E-01 }, { 1.75E-01, 9.79E-01, 3.30E+00, 8.24E+00, 2.14E+01 }, 0 }, { "Cd2+", { 4.25E-01, 7.45E-01, 1.73E+00, 1.74E+00, 4.87E-01 }, { 1.68E-01, 9.44E-01, 3.14E+00, 7.84E+00, 2.04E+01 }, 0 }, { "In3+", { 4.17E-01, 7.55E-01, 1.59E+00, 1.36E+00, 4.51E-01 }, { 1.64E-01, 9.60E-01, 3.08E+00, 7.03E+00, 1.61E+01 }, 0 }, { "Sn2+", { 7.97E-01, 2.13E+00, 2.15E+00, -1.64E+00, 2.72E+00 }, { 3.17E-01, 2.51E+00, 9.04E+00, 2.42E+01, 2.64E+01 }, 0 }, { "Sn4+", { 2.61E-01, 6.42E-01, 1.53E+00, 1.36E+00, 1.77E-01 }, { 9.57E-02, 6.25E-01, 2.51E+00, 6.31E+00, 1.59E+01 }, 0 }, { "Sb3+", { 5.52E-01, 1.14E+00, 1.87E+00, 1.36E+00, 4.14E-01 }, { 2.12E-01, 1.42E+00, 4.21E+00, 1.25E+01, 2.90E+01 }, 0 }, { "Sb5+", { 3.77E-01, 5.88E-01, 1.22E+00, 1.18E+00, 2.44E-01 }, { 1.51E-01, 8.12E-01, 2.40E+00, 5.27E+00, 1.19E+01 }, 0 }, { "I1-", { 9.01E-01, 2.80E+00, 5.61E+00, -8.69E+00, 1.26E+01 }, { 3.12E-01, 2.59E+00, 1.41E+01, 3.44E+01, 3.95E+01 }, 0 }, { "Cs1+", { 5.87E-01, 1.40E+00, 1.87E+00, 3.48E+00, 1.67E+00 }, { 2.00E-01, 1.38E+00, 4.12E+00, 1.30E+01, 3.18E+01 }, 0 }, { "Ba2+", { 7.33E-01, 2.05E+00, 2.30E+01, -1.52E+02, 1.34E+02 }, { 2.58E-01, 1.96E+00, 1.18E+01, 1.44E+01, 1.49E+01 }, 0 }, { "La3+", { 4.93E-01, 1.10E+00, 1.50E+00, 2.70E-02, 1.08E+00 }, { 1.67E-01, 1.11E+00, 3.11E+00, 9.61E+00, 2.12E+01 }, 0 }, { "Ce3+", { 5.60E-01, 1.35E+00, 1.59E+00, 2.63E+00, 7.06E-01 }, { 1.90E-01, 1.30E+00, 3.93E+00, 1.07E+01, 2.38E+01 }, 0 }, { "Ce4+", { 4.83E-01, 1.09E+00, 1.34E+00, 2.45E+00, 7.97E-01 }, { 1.65E-01, 1.10E+00, 3.02E+00, 8.85E+00, 1.88E+01 }, 0 }, { "Pr3+", { 6.63E-01, 1.73E+00, 2.35E+00, 3.51E-01, 1.59E+00 }, { 2.26E-01, 1.61E+00, 6.33E+00, 1.10E+01, 1.69E+01 }, 0 }, { "Pr4+", { 5.21E-01, 1.19E+00, 1.33E+00, 2.36E+00, 6.90E-01 }, { 1.77E-01, 1.17E+00, 3.28E+00, 8.94E+00, 1.93E+01 }, 0 }, { "Nd3+", { 5.01E-01, 1.18E+00, 1.45E+00, 2.53E+00, 9.20E-01 }, { 1.62E-01, 1.08E+00, 3.06E+00, 8.80E+00, 1.96E+01 }, 0 }, { "Pm3+", { 4.96E-01, 1.20E+00, 1.47E+00, 2.43E+00, 9.43E-01 }, { 1.56E-01, 1.05E+00, 3.07E+00, 8.56E+00, 1.92E+01 }, 0 }, { "Sm3+", { 5.18E-01, 1.24E+00, 1.43E+00, 2.40E+00, 7.81E-01 }, { 1.63E-01, 1.08E+00, 3.11E+00, 8.52E+00, 1.91E+01 }, 0 }, { "Eu2+", { 6.13E-01, 1.53E+00, 1.84E+00, 2.46E+00, 7.14E-01 }, { 1.90E-01, 1.27E+00, 4.18E+00, 1.07E+01, 2.62E+01 }, 0 }, { "Eu3+", { 4.96E-01, 1.21E+00, 1.45E+00, 2.36E+00, 7.74E-01 }, { 1.52E-01, 1.01E+00, 2.95E+00, 8.18E+00, 1.85E+01 }, 0 }, { "Gd3+", { 4.90E+00, 1.19E-02, 1.42E+00, 2.30E+00, 7.95E-01 }, { 1.48E-01, 9.74E-01, 2.81E+00, 7.78E+00, 1.77E+01 }, 0 }, { "Tb3+", { 5.03E-01, 1.22E+00, 1.42E+00, 2.24E+00, 7.10E-01 }, { 1.50E-01, 9.82E-01, 2.86E+00, 7.77E+00, 1.77E+01 }, 0 }, { "Dy3+", { 5.03E-01, 1.24E+00, 1.44E+00, 2.17E+00, 6.43E-01 }, { 1.48E-01, 9.70E-01, 2.88E+00, 7.73E+00, 1.76E+01 }, 0 }, { "Ho3+", { 4.56E-01, 1.17E+00, 1.43E+00, 2.15E+00, 6.92E-01 }, { 1.29E-01, 8.69E-01, 2.61E+00, 7.24E+00, 1.67E+01 }, 0 }, { "Er3+", { 5.22E-01, 1.28E+00, 1.46E+00, 2.05E+00, 5.08E-01 }, { 1.50E-01, 9.64E-01, 2.93E+00, 7.72E+00, 1.78E+01 }, 0 }, { "Tm3+", { 4.75E-01, 1.20E+00, 1.42E+00, 2.05E+00, 5.84E-01 }, { 1.32E-01, 8.64E-01, 2.60E+00, 7.09E+00, 1.66E+01 }, 0 }, { "Yb2+", { 5.08E-01, 1.37E+00, 1.76E+00, 2.23E+00, 5.84E-01 }, { 1.36E-01, 9.22E-01, 3.12E+00, 8.72E+00, 2.37E+01 }, 0 }, { "Yb3+", { 4.98E-01, 1.22E+00, 1.39E+00, 1.97E-02, 5.59E-01 }, { 1.38E-01, 8.81E-01, 2.63E+00, 6.99E+00, 1.63E+01 }, 0 }, { "Lu3+", { 4.83E-01, 1.21E+00, 1.41E+00, 1.94E+00, 5.22E-01 }, { 1.31E-01, 8.45E-01, 2.57E+00, 6.88E+00, 1.62E+01 }, 0 }, { "Hf4+", { 5.22E-01, 1.22E+00, 1.37E+00, 1.68E+00, 3.12E-01 }, { 1.45E-01, 8.96E-01, 2.74E+00, 6.91E+00, 1.61E+01 }, 0 }, { "Ta5+", { 5.69E-01, 1.26E+00, 9.79E-01, 1.29E+00, 5.51E-01 }, { 1.61E-01, 9.72E-01, 2.76E+00, 5.40E+00, 1.09E+01 }, 0 }, { "W6+", { 1.81E-01, 8.73E-01, 1.18E+00, 1.48E+00, 5.62E-01 }, { 1.18E-02, 4.42E-01, 1.52E+00, 4.35E+00, 9.42E+00 }, 0 }, { "Os4+", { 5.86E-01, 1.31E+00, 1.63E+00, 1.71E+00, 5.40E-01 }, { 1.55E-01, 9.38E-01, 3.19E+00, 7.84E+00, 1.93E+01 }, 0 }, { "Ir3+", { 6.92E-01, 1.37E+00, 1.80E+00, 1.97E+00, 8.04E-01 }, { 1.82E-01, 1.04E+00, 3.47E+00, 8.51E+00, 2.12E+01 }, 0 }, { "Ir4+", { 6.53E-01, 1.29E+00, 1.50E+00, 1.74E+00, 6.83E-01 }, { 1.74E-01, 9.92E-01, 3.14E+00, 7.22E+00, 1.72E+01 }, 0 }, { "Pt2+", { 8.72E-01, 1.68E+00, 2.63E+00, 1.93E+00, 4.75E-01 }, { 2.23E-01, 1.35E+00, 4.99E+00, 1.36E+01, 3.30E+01 }, 0 }, { "Pt4+", { 5.50E-01, 1.21E+00, 1.62E+00, 1.95E+00, 6.10E-01 }, { 1.42E-01, 8.33E-01, 2.81E+00, 7.21E+00, 1.77E+01 }, 0 }, { "Au1+", { 8.11E-01, 1.57E+00, 2.63E+00, 2.68E+00, 9.98E-01 }, { 2.01E-01, 1.18E+00, 4.25E+00, 1.21E+01, 3.44E+01 }, 0 }, { "Au3+", { 7.22E-01, 1.39E+00, 1.94E+00, 1.94E+00, 6.99E-01 }, { 1.84E-01, 1.06E+00, 3.58E+00, 8.56E+00, 2.04E+01 }, 0 }, { "Hg1+", { 7.96E-01, 1.56E+00, 2.72E+00, 2.76E+00, 1.18E+00 }, { 1.94E-01, 1.14E+00, 4.21E+00, 1.24E+01, 3.62E+01 }, 0 }, { "Hg2+", { 7.73E-01, 1.49E+00, 2.45E+00, 2.23E+00, 5.70E-01 }, { 1.91E-01, 1.12E+00, 4.00E+00, 1.08E+01, 2.76E+01 }, 0 }, { "Tl1+", { 8.20E-01, 1.57E+00, 2.78E+00, 2.82E+00, 1.31E+00 }, { 1.97E-01, 1.16E+00, 4.23E+00, 1.27E+01, 3.57E+01 }, 0 }, { "Tl3+", { 8.36E-01, 1.43E+00, 3.94E-01, 2.51E+00, 1.50E+00 }, { 2.08E-01, 1.20E+00, 2.57E+00, 4.86E+00, 1.35E+01 }, 0 }, { "Pb2+", { 7.55E-01, 1.44E+00, 2.48E+00, 2.45E+00, 1.03E+00 }, { 1.81E-01, 1.05E+00, 3.75E+00, 1.06E+01, 2.79E+01 }, 0 }, { "Pb4+", { 5.83E-01, 1.14E+00, 1.60E+00, 2.06E+00, 6.62E-01 }, { 1.44E-01, 7.96E-01, 2.58E+00, 6.22E+00, 1.48E+01 }, 0 }, { "Bi3+", { 7.08E-01, 1.35E+00, 2.28E+00, 2.18E+00, 7.97E-01 }, { 1.70E-01, 9.81E-01, 3.44E+00, 9.41E+00, 2.37E+01 }, 0 }, { "Bi5+", { 6.54E-01, 1.18E+00, 1.25E+00, 1.66E+00, 7.78E-01 }, { 1.62E-01, 9.05E-01, 2.68E+00, 5.14E+00, 1.12E+01 }, 0 }, { "Ra2+", { 9.11E-01, 1.65E+00, 2.53E+00, 3.62E+00, 1.58E+00 }, { 2.04E-01, 1.26E+00, 4.03E+00, 1.26E+01, 3.00E+01 }, 0 }, { "Ac3+", { 9.15E-01, 1.64E+00, 2.26E+00, 3.18E+00, 1.25E+00 }, { 2.05E-01, 1.28E+00, 3.92E+00, 1.13E+01, 2.51E+01 }, 0 }, { "U3+", { 1.14E+00, 2.48E+00, 3.61E+00, 1.13E-02, 9.00E-01 }, { 2.50E-01, 1.84E+00, 7.39E+00, 1.80E+01, 2.27E+01 }, 0 }, { "U4+", { 1.09E+00, 2.32E+00, 1.20E+01, -9.11E+00, 2.15E+00 }, { 2.43E-01, 1.75E+00, 7.79E+00, 8.31E+00, 1.65E+01 }, 0 }, { "U6+", { 6.87E-01, 1.14E+00, 1.83E+00, 2.53E+00, 9.57E-01 }, { 1.54E-01, 8.61E-01, 2.58E+00, 7.70E+00, 1.59E+01 }, 0 }, { 0, { 0., 0., 0., 0., 0. }, { 0., 0., 0., 0., 0. }, 0. } // END_COMPILED_IN_REFERENCE_DATA }; } // namespace peng1996::peng1996(std::string const& label, bool exact) : xray_scattering::base<5>(peng1996_raw_table, "PENG1996", label, exact) {} peng1996_iterator::peng1996_iterator() : current_("H", true) {} peng1996 peng1996_iterator::next() { peng1996 result = current_; current_.next_entry(); return result; } }}} // namespace cctbx::eltbx::electron_scattering