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

© International Union of Crystallography 2006
International Tables for Crystallography (2006). Vol. C. ch. 4.4, p. 454

Table 4.4.5.1 

P. J. Browna

Table 4.4.5.1 | top | pdf |
〈j0〉 form factors for 3d transition elements and their ions

Atom or ion A a B b C c D e
Sc 0.2512 90.030 0.3290 39.402 0.4235 14.322 −0.0043 0.2029
Sc+ 0.4889 51.160 0.5203 14.076 −0.0286 0.179 0.0185 0.1217
Sc2+ 0.5048 31.403 0.5186 10.990 −0.0241 1.183 0.0000 0.0578
Ti 0.4657 33.590 0.5490 9.879 −0.0291 0.323 0.0123 0.1088
Ti+ 0.5093 36.703 0.5032 10.371 −0.0263 0.311 0.0116 0.1125
Ti2+ 0.5091 24.976 0.5162 8.757 −0.0281 0.916 0.0015 0.0589
Ti3+ 0.3571 22.841 0.6688 8.931 −0.0354 0.483 0.0099 0.0575
V 0.4086 28.811 0.6077 8.544 −0.0295 0.277 0.0123 0.0970
V+ 0.4444 32.648 0.5683 9.097 −0.2285 0.022 0.2150 0.1111
V2+ 0.4085 23.853 0.6091 8.246 −0.1676 0.041 0.1496 0.0593
V3+ 0.3598 19.336 0.6632 7.617 −0.3064 0.030 0.2835 0.0515
V4+ 0.3106 16.816 0.7198 7.049 −0.0521 0.302 0.0221 0.0433
Cr 0.1135 45.199 0.3481 19.493 0.5477 7.354 −0.0092 0.1975
Cr+ −0.0977 0.047 0.4544 26.005 0.5579 7.489 0.0831 0.1114
Cr2+ 1.2024 −0.005 0.4158 20.548 0.6032 6.956 −1.2218 0.0572
Cr3+ −0.3094 0.027 0.3680 17.035 0.6559 6.524 0.2856 0.0436
Cr4+ −0.2320 0.043 0.3101 14.952 0.7182 6.173 0.2042 0.0419
Mn 0.2438 24.963 0.1472 15.673 0.6189 6.540 −0.0105 0.1748
Mn+ −0.0138 0.421 0.4231 24.668 0.5905 6.655 −0.0010 0.1242
Mn2+ 0.4220 17.684 0.5948 6.0050 0.0043 −0.609 −0.0219 0.0589
Mn3+ 0.4198 14.283 0.6054 5.469 0.9241 −0.009 −0.9498 0.0392
Mn4+ 0.3760 12.566 0.6602 5.133 −0.0372 0.563 0.0011 0.0393
Fe 0.0706 35.008 0.3589 15.358 0.5819 5.561 −0.0114 0.1398
Fe+ 0.1251 34.963 0.3629 15.514 0.5223 5.591 −0.0105 0.1301
Fe2+ 0.0263 34.960 0.3668 15.943 0.6188 5.594 −0.0119 0.1437
Fe3+ 0.3972 13.244 0.6295 4.903 −0.0314 0.350 0.0044 0.0441
Fe4+ 0.3782 11.380 0.6556 4.592 −0.0346 0.483 0.0005 0.0362
Co 0.4139 16.162 0.6013 4.780 −0.1518 0.021 0.1345 0.1033
Co+ 0.0990 33.125 0.3645 15.177 0.5470 5.008 −0.0109 0.0983
Co2+ 0.4332 14.355 0.5857 4.608 −0.0382 0.134 0.0179 0.0711
Co3+ 0.3902 12.508 0.6324 4.457 −0.1500 0.034 0.1272 0.0515
Co4+ 0.3515 10.778 0.6778 4.234 −0.0389 0.241 0.0098 0.0390
Ni −0.0172 35.739 0.3174 14.269 0.7136 4.566 −0.0143 0.1072
Ni+ 0.0705 35.856 0.3984 13.804 0.5427 4.397 −0.0118 0.0738
Ni2+ 0.0163 35.883 0.3916 13.223 0.6052 4.339 −0.0133 0.0817
Ni3+ 0.0012 35.000 0.3468 11.987 0.6667 4.252 −0.0148 0.0883
Ni4+ −0.0090 35.861 0.2776 11.790 0.7474 4.201 −0.0163 0.0966
Cu 0.0909 34.984 0.4088 11.443 0.5128 3.825 −0.0124 0.0513
Cu+ 0.0749 34.966 0.4147 11.764 0.5238 3.850 −0.0127 0.0591
Cu2+ 0.0232 34.969 0.4023 11.564 0.5882 3.843 −0.0137 0.0532
Cu3+ 0.0031 34.907 0.3582 10.914 0.6531 3.828 −0.0147 0.0665
Cu4+ −0.0132 30.682 0.2801 11.163 0.7490 3.817 −0.0165 0.0767