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. 456

Table 4.4.5.5 

P. J. Browna

Table 4.4.5.5 | top | pdf |
〈j2〉 form factors for 3d transition elements and their ions

Atom or ion A a B b C c D e
Sc 10.8172 54.327 4.7353 14.847 0.6071 4.218 0.0011 0.1212
Sc+ 8.5021 34.285 3.2116 10.994 0.4244 3.605 0.0009 0.1037
Sc2+ 4.3683 28.654 3.7231 10.823 0.6074 3.668 0.0014 0.0681
Ti 4.3583 36.056 3.8230 11.133 0.6855 3.469 0.0020 0.0967
Ti+ 6.1567 27.275 2.6833 8.983 0.4070 3.052 0.0011 0.0902
Ti2+ 4.3107 18.348 2.0960 6.797 0.2984 2.548 0.0007 0.0640
Ti3+ 3.3717 14.444 1.8258 5.713 0.2470 2.265 0.0005 0.0491
V 3.7600 21.831 2.4026 7.546 0.4464 2.663 0.0017 0.0556
V+ 4.7474 23.323 2.3609 7.808 0.4105 2.706 0.0014 0.0800
V2+ 3.4386 16.530 1.9638 6.141 0.2997 2.267 0.0009 0.0565
V3+ 2.3005 14.682 2.0364 6.130 0.4099 2.382 0.0014 0.0252
V4+ 1.8377 12.267 1.8247 5.458 0.3979 2.248 0.0012 0.0399
Cr 3.4085 20.127 2.1006 6.802 0.4266 2.394 0.0019 0.0662
Cr+ 3.7768 20.346 2.1028 6.893 0.4010 2.411 0.0017 0.0686
Cr2+ 2.6422 16.060 1.9198 6.253 0.4446 2.372 0.0020 0.0480
Cr3+ 1.6262 15.066 2.0618 6.284 0.5281 2.368 0.0023 0.0263
Cr4+ 1.0293 13.950 1.9933 6.059 0.5974 2.346 0.0027 0.0366
Mn 2.6681 16.060 1.7561 5.640 0.3675 2.049 0.0017 0.0595
Mn+ 3.2953 18.695 1.8792 6.240 0.3927 2.201 0.0022 0.0659
Mn2+ 2.0515 15.556 1.8841 6.063 0.4787 2.232 0.0027 0.0306
Mn3+ 1.2427 14.997 1.9567 6.118 0.5732 2.258 0.0031 0.0336
Mn4+ 0.7879 13.886 1.8717 5.743 0.5981 2.182 0.0034 0.0434
Fe 1.9405 18.473 1.9566 6.323 0.5166 2.161 0.0036 0.0394
Fe+ 2.6290 18.660 1.8704 6.331 0.4690 2.163 0.0031 0.0491
Fe2+ 1.6490 16.559 1.9064 6.133 0.5206 2.137 0.0035 0.0335
Fe3+ 1.3602 11.998 1.5188 5.003 0.4705 1.991 0.0038 0.0374
Fe4+ 1.5582 8.275 1.1863 3.279 0.1366 1.107 −0.0022 0.0327
Co 1.9678 14.170 1.4911 4.948 0.3844 1.797 0.0027 0.0452
Co+ 2.4097 16.161 1.5780 5.460 0.4095 1.914 0.0031 0.0581
Co2+ 1.9049 11.644 1.3159 4.357 0.3146 1.645 0.0017 0.0459
Co3+ 1.7058 8.859 1.1409 3.309 0.1474 1.090 −0.0025 0.0462
Co4+ 1.3110 8.025 1.1551 3.179 0.1608 1.130 −0.0011 0.0374
Ni 1.0302 12.252 1.4669 4.745 0.4521 1.744 0.0036 0.0338
Ni+ 2.1040 14.866 1.4302 5.071 0.4031 1.778 0.0034 0.0561
Ni2+ 1.7080 11.016 1.2147 4.103 0.3150 1.533 0.0018 0.0446
Ni3+ 1.4683 8.671 0.1794 1.106 1.1068 3.257 −0.0023 0.0373
Ni4+ 1.1612 7.700 1.0027 3.263 0.2719 1.378 0.0025 0.0326
Cu 1.9182 14.490 1.3329 4.730 0.3842 1.639 0.0035 0.0617
Cu+ 1.8814 13.433 1.2809 4.545 0.3646 1.602 0.0033 0.0590
Cu2+ 1.5189 10.478 1.1512 3.813 0.2918 1.398 0.0017 0.0429
Cu3+ 1.2797 8.450 1.0315 3.280 0.2401 1.250 0.0015 0.0389
Cu4+ 0.9568 7.448 0.9099 3.396 0.3729 1.494 0.0049 0.0330