Using the program formfactor the magnetic formfactors for neutrons can be evaluated. Neutron form factors are a function of the scattering vector and expressed in terms of expectation values of spherical Bessel functions defined as
Here is the radial part of the single electron wave function in the atom. In dipolar approximation (small ) the form factors are given by the simple expression
(185) |
The are used in modules mcdiff and mcdisp to calculate the neutron scattering cross section. In order to do this task, the single ion property files have to contain information on the different for . If the sipf file contains a radial wave function, then this is used to calculate . If no radial wavefunction is given, then coefficients as outlined below may be given to calculate the formfactor. For the most common magnetic ions the expression (197) has been calculated and expressed by coefficients of an expansion in exponential functions:
(186) | |||
(187) | |||
(188) | |||
(189) |
The coefficients A, a, B, b, C, c, D for and different ions are tabulated below.
# For Ce3+ 4f1 Lisher and Forsyth acta cryst A27 (1971) 545 FFj0A=+0.2291 FFj0a=+18.18 FFj0B=+0.7897 FFj0b=+5.807 FFj0C=-0.0191 FFj0c=0.0000 FFj0D=0.0000 FFj2A=+2.1284 FFj2a=+8.9174 FFj2B=+1.1229 FFj2b=+2.8371 FFj2C=+0.01108 FFj2c=0.000 FFj2D=+0.0000 FFj4A=+0.4221 FFj4a=+1.7572 FFj4B=-0.4087 FFj4b=+14.604 FFj4C=+0.01465 FFj4c=+0.000 FFj4D=+0.0000 FFj6A=+0.13076 FFj6a=+0.8650 FFj6B=-0.15173 FFj6b=+5.6704 FFj6C=+0.00281 FFj6c=+0.000 FFj6D=+0.0000
# The attached my be the most useful electronic form of the data. # The lines which start F contain the name of the factor # followed by an integer (2 or 4) which indicate whether (4 j2 and j4,j6) # or not (2 j0) the terms should be multiplied by sinsqrd(theta/lambda). # # Best regards # Jane Brown
#Z <j0> form factors for 3d transition elements and their ions #Z {F Sc0 2} FFj0A= 0.2512 FFj0a=90.0296 FFj0B= 0.3290 FFj0b=39.4021 FFj0C= 0.4235 FFj0c=14.3222 FFj0D=-0.0043 {F Sc1 2} FFj0A= 0.4889 FFj0a=51.1603 FFj0B= 0.5203 FFj0b=14.0764 FFj0C=-0.0286 FFj0c= 0.1792 FFj0D= 0.0185 {F Sc2 2} FFj0A= 0.5048 FFj0a=31.4035 FFj0B= 0.5186 FFj0b=10.9897 FFj0C=-0.0241 FFj0c= 1.1831 FFj0D= 0.0000 {F Ti0 2} FFj0A= 0.4657 FFj0a=33.5898 FFj0B= 0.5490 FFj0b= 9.8791 FFj0C=-0.0291 FFj0c= 0.3232 FFj0D= 0.0123 {F Ti1 2} FFj0A= 0.5093 FFj0a=36.7033 FFj0B= 0.5032 FFj0b=10.3713 FFj0C=-0.0263 FFj0c= 0.3106 FFj0D= 0.0116 {F Ti2 2} FFj0A= 0.5091 FFj0a=24.9763 FFj0B= 0.5162 FFj0b= 8.7569 FFj0C=-0.0281 FFj0c= 0.9160 FFj0D= 0.0015 {F Ti3 2} FFj0A= 0.3571 FFj0a=22.8413 FFj0B= 0.6688 FFj0b= 8.9306 FFj0C=-0.0354 FFj0c= 0.4833 FFj0D= 0.0099 {F V0 2} FFj0A= 0.4086 FFj0a=28.8109 FFj0B= 0.6077 FFj0b= 8.5437 FFj0C=-0.0295 FFj0c= 0.2768 FFj0D= 0.0123 {F V1 2} FFj0A= 0.4444 FFj0a=32.6479 FFj0B= 0.5683 FFj0b= 9.0971 FFj0C=-0.2285 FFj0c= 0.0218 FFj0D= 0.2150 {F V2 2} FFj0A= 0.4085 FFj0a=23.8526 FFj0B= 0.6091 FFj0b= 8.2456 FFj0C=-0.1676 FFj0c= 0.0415 FFj0D= 0.1496 {F V3 2} FFj0A= 0.3598 FFj0a=19.3364 FFj0B= 0.6632 FFj0b= 7.6172 FFj0C=-0.3064 FFj0c= 0.0296 FFj0D= 0.2835 {F V4 2} FFj0A= 0.3106 FFj0a=16.8160 FFj0B= 0.7198 FFj0b= 7.0487 FFj0C=-0.0521 FFj0c= 0.3020 FFj0D= 0.0221 {F Cr0 2} FFj0A= 0.1135 FFj0a=45.1990 FFj0B= 0.3481 FFj0b=19.4931 FFj0C= 0.5477 FFj0c= 7.3542 FFj0D=-0.0092 {F Cr1 2} FFj0A=-0.0977 FFj0a= 0.0470 FFj0B= 0.4544 FFj0b=26.0054 FFj0C= 0.5579 FFj0c= 7.4892 FFj0D= 0.0831 {F Cr2 2} FFj0A= 1.2024 FFj0a=-0.0055 FFj0B= 0.4158 FFj0b=20.5475 FFj0C= 0.6032 FFj0c= 6.9560 FFj0D=-1.2218 {F Cr3 2} FFj0A=-0.3094 FFj0a= 0.0274 FFj0B= 0.3680 FFj0b=17.0355 FFj0C= 0.6559 FFj0c= 6.5236 FFj0D= 0.2856 {F Cr4 2} FFj0A=-0.2320 FFj0a= 0.0433 FFj0B= 0.3101 FFj0b=14.9518 FFj0C= 0.7182 FFj0c= 6.1726 FFj0D= 0.2042 {F Mn0 2} FFj0A= 0.2438 FFj0a=24.9629 FFj0B= 0.1472 FFj0b=15.6728 FFj0C= 0.6189 FFj0c= 6.5403 FFj0D=-0.0105 {F Mn1 2} FFj0A=-0.0138 FFj0a= 0.4213 FFj0B= 0.4231 FFj0b=24.6680 FFj0C= 0.5905 FFj0c= 6.6545 FFj0D=-0.0010 {F Mn2 2} FFj0A= 0.4220 FFj0a=17.6840 FFj0B= 0.5948 FFj0b= 6.0050 FFj0C= 0.0043 FFj0c=-0.6090 FFj0D=-0.0219 {F Mn3 2} FFj0A= 0.4198 FFj0a=14.2829 FFj0B= 0.6054 FFj0b= 5.4689 FFj0C= 0.9241 FFj0c=-0.0088 FFj0D=-0.9498 {F Mn4 2} FFj0A= 0.3760 FFj0a=12.5661 FFj0B= 0.6602 FFj0b= 5.1329 FFj0C=-0.0372 FFj0c= 0.5630 FFj0D= 0.0011 {F Mn5 2} FFj0A= 0.2924 FFj0a=11.6655 FFj0B= 0.7405 FFj0b= 5.0741 FFj0C=-1.7883 FFj0c= 0.0059 FFj0D= 1.7557 {F Fe0 2} FFj0A= 0.0706 FFj0a=35.0085 FFj0B= 0.3589 FFj0b=15.3583 FFj0C= 0.5819 FFj0c= 5.5606 FFj0D=-0.0114 {F Fe1 2} FFj0A= 0.1251 FFj0a=34.9633 FFj0B= 0.3629 FFj0b=15.5144 FFj0C= 0.5223 FFj0c= 5.5914 FFj0D=-0.0105 {F Fe2 2} FFj0A= 0.0263 FFj0a=34.9597 FFj0B= 0.3668 FFj0b=15.9435 FFj0C= 0.6188 FFj0c= 5.5935 FFj0D=-0.0119 {F Fe3 2} FFj0A= 0.3972 FFj0a=13.2442 FFj0B= 0.6295 FFj0b= 4.9034 FFj0C=-0.0314 FFj0c= 0.3496 FFj0D= 0.0044 {F Fe4 2} FFj0A= 0.3782 FFj0a=11.3800 FFj0B= 0.6556 FFj0b= 4.5920 FFj0C=-0.0346 FFj0c= 0.4833 FFj0D= 0.0005 {F Co0 2} FFj0A= 0.4139 FFj0a=16.1616 FFj0B= 0.6013 FFj0b= 4.7805 FFj0C=-0.1518 FFj0c= 0.0210 FFj0D= 0.1345 {F Co1 2} FFj0A= 0.0990 FFj0a=33.1252 FFj0B= 0.3645 FFj0b=15.1768 FFj0C= 0.5470 FFj0c= 5.0081 FFj0D=-0.0109 {F Co2 2} FFj0A= 0.4332 FFj0a=14.3553 FFj0B= 0.5857 FFj0b= 4.6077 FFj0C=-0.0382 FFj0c= 0.1338 FFj0D= 0.0179 {F Co3 2} FFj0A= 0.3902 FFj0a=12.5078 FFj0B= 0.6324 FFj0b= 4.4574 FFj0C=-0.1500 FFj0c= 0.0343 FFj0D= 0.1272 {F Co4 2} FFj0A= 0.3515 FFj0a=10.7785 FFj0B= 0.6778 FFj0b= 4.2343 FFj0C=-0.0389 FFj0c= 0.2409 FFj0D= 0.0098 {F Ni0 2} FFj0A=-0.0172 FFj0a=35.7392 FFj0B= 0.3174 FFj0b=14.2689 FFj0C= 0.7136 FFj0c= 4.5661 FFj0D=-0.0143 {F Ni1 2} FFj0A= 0.0705 FFj0a=35.8561 FFj0B= 0.3984 FFj0b=13.8042 FFj0C= 0.5427 FFj0c= 4.3965 FFj0D=-0.0118 {F Ni2 2} FFj0A= 0.0163 FFj0a=35.8826 FFj0B= 0.3916 FFj0b=13.2233 FFj0C= 0.6052 FFj0c= 4.3388 FFj0D=-0.0133 {F Ni3 2} FFj0A= 0.0012 FFj0a=34.9998 FFj0B= 0.3468 FFj0b=11.9874 FFj0C= 0.6667 FFj0c= 4.2518 FFj0D=-0.0148 {F Ni4 2} FFj0A=-0.0090 FFj0a=35.8614 FFj0B= 0.2776 FFj0b=11.7904 FFj0C= 0.7474 FFj0c= 4.2011 FFj0D=-0.0163 {F Cu0 2} FFj0A= 0.0909 FFj0a=34.9838 FFj0B= 0.4088 FFj0b=11.4432 FFj0C= 0.5128 FFj0c= 3.8248 FFj0D=-0.0124 {F Cu1 2} FFj0A= 0.0749 FFj0a=34.9656 FFj0B= 0.4147 FFj0b=11.7642 FFj0C= 0.5238 FFj0c= 3.8497 FFj0D=-0.0127 {F Cu2 2} FFj0A= 0.0232 FFj0a=34.9686 FFj0B= 0.4023 FFj0b=11.5640 FFj0C= 0.5882 FFj0c= 3.8428 FFj0D=-0.0137 {F Cu3 2} FFj0A= 0.0031 FFj0a=34.9074 FFj0B= 0.3582 FFj0b=10.9138 FFj0C= 0.6531 FFj0c= 3.8279 FFj0D=-0.0147 {F Cu4 2} FFj0A=-0.0132 FFj0a=30.6817 FFj0B= 0.2801 FFj0b=11.1626 FFj0C= 0.7490 FFj0c= 3.8172 FFj0D=-0.0165 #Z #Z <j0> form factors for 4d atoms and ions #Z {F Y0 2} FFj0A= 0.5915 FFj0a=67.6081 FFj0B= 1.5123 FFj0b=17.9004 FFj0C=-1.1130 FFj0c=14.1359 FFj0D= 0.0080 {F Zr0 2} FFj0A= 0.4106 FFj0a=59.9961 FFj0B= 1.0543 FFj0b=18.6476 FFj0C=-0.4751 FFj0c=10.5400 FFj0D= 0.0106 {F Zr1 2} FFj0A= 0.4532 FFj0a=59.5948 FFj0B= 0.7834 FFj0b=21.4357 FFj0C=-0.2451 FFj0c= 9.0360 FFj0D= 0.0098 {F Nb0 2} FFj0A= 0.3946 FFj0a=49.2297 FFj0B= 1.3197 FFj0b=14.8216 FFj0C=-0.7269 FFj0c= 9.6156 FFj0D= 0.0129 {F Nb1 2} FFj0A= 0.4572 FFj0a=49.9182 FFj0B= 1.0274 FFj0b=15.7256 FFj0C=-0.4962 FFj0c= 9.1573 FFj0D= 0.0118 {F Mo0 2} FFj0A= 0.1806 FFj0a=49.0568 FFj0B= 1.2306 FFj0b=14.7859 FFj0C=-0.4268 FFj0c= 6.9866 FFj0D= 0.0171 {F Mo1 2} FFj0A= 0.3500 FFj0a=48.0354 FFj0B= 1.0305 FFj0b=15.0604 FFj0C=-0.3929 FFj0c= 7.4790 FFj0D= 0.0139 {F Tc0 2} FFj0A= 0.1298 FFj0a=49.6611 FFj0B= 1.1656 FFj0b=14.1307 FFj0C=-0.3134 FFj0c= 5.5129 FFj0D= 0.0195 {F Tc1 2} FFj0A= 0.2674 FFj0a=48.9566 FFj0B= 0.9569 FFj0b=15.1413 FFj0C=-0.2387 FFj0c= 5.4578 FFj0D= 0.0160 {F Ru0 2} FFj0A= 0.1069 FFj0a=49.4238 FFj0B= 1.1912 FFj0b=12.7417 FFj0C=-0.3176 FFj0c= 4.9125 FFj0D= 0.0213 {F Ru1 2} FFj0A= 0.4410 FFj0a=33.3086 FFj0B= 1.4775 FFj0b= 9.5531 FFj0C=-0.9361 FFj0c= 6.7220 FFj0D= 0.0176 {F Rh0 2} FFj0A= 0.0976 FFj0a=49.8825 FFj0B= 1.1601 FFj0b=11.8307 FFj0C=-0.2789 FFj0c= 4.1266 FFj0D= 0.0234 {F Rh1 2} FFj0A= 0.3342 FFj0a=29.7564 FFj0B= 1.2209 FFj0b= 9.4384 FFj0C=-0.5755 FFj0c= 5.3320 FFj0D= 0.0210 {F Pd0 2} FFj0A= 0.2003 FFj0a=29.3633 FFj0B= 1.1446 FFj0b= 9.5993 FFj0C=-0.3689 FFj0c= 4.0423 FFj0D= 0.0251 {F Pd1 2} FFj0A= 0.5033 FFj0a=24.5037 FFj0B= 1.9982 FFj0b= 6.9082 FFj0C=-1.5240 FFj0c= 5.5133 FFj0D= 0.0213 #Z #Z <j0> form factors for rare earth ions #Z {F Ce2 2} FFj0A= 0.2953 FFj0a=17.6846 FFj0B= 0.2923 FFj0b= 6.7329 FFj0C= 0.4313 FFj0c= 5.3827 FFj0D=-0.0194 {F Nd2 2} FFj0A= 0.1645 FFj0a=25.0453 FFj0B= 0.2522 FFj0b=11.9782 FFj0C= 0.6012 FFj0c= 4.9461 FFj0D=-0.0180 {F Nd3 2} FFj0A= 0.0540 FFj0a=25.0293 FFj0B= 0.3101 FFj0b=12.1020 FFj0C= 0.6575 FFj0c= 4.7223 FFj0D=-0.0216 {F Sm2 2} FFj0A= 0.0909 FFj0a=25.2032 FFj0B= 0.3037 FFj0b=11.8562 FFj0C= 0.6250 FFj0c= 4.2366 FFj0D=-0.0200 {F Sm3 2} FFj0A= 0.0288 FFj0a=25.2068 FFj0B= 0.2973 FFj0b=11.8311 FFj0C= 0.6954 FFj0c= 4.2117 FFj0D=-0.0213 {F Eu2 2} FFj0A= 0.0755 FFj0a=25.2960 FFj0B= 0.3001 FFj0b=11.5993 FFj0C= 0.6438 FFj0c= 4.0252 FFj0D=-0.0196 {F Eu3 2} FFj0A= 0.0204 FFj0a=25.3078 FFj0B= 0.3010 FFj0b=11.4744 FFj0C= 0.7005 FFj0c= 3.9420 FFj0D=-0.0220 {F Gd2 2} FFj0A= 0.0636 FFj0a=25.3823 FFj0B= 0.3033 FFj0b=11.2125 FFj0C= 0.6528 FFj0c= 3.7877 FFj0D=-0.0199 {F Gd3 2} FFj0A= 0.0186 FFj0a=25.3867 FFj0B= 0.2895 FFj0b=11.1421 FFj0C= 0.7135 FFj0c= 3.7520 FFj0D=-0.0217 {F Tb2 2} FFj0A= 0.0547 FFj0a=25.5086 FFj0B= 0.3171 FFj0b=10.5911 FFj0C= 0.6490 FFj0c= 3.5171 FFj0D=-0.0212 {F Tb3 2} FFj0A= 0.0177 FFj0a=25.5095 FFj0B= 0.2921 FFj0b=10.5769 FFj0C= 0.7133 FFj0c= 3.5122 FFj0D=-0.0231 {F Dy2 2} FFj0A= 0.1308 FFj0a=18.3155 FFj0B= 0.3118 FFj0b= 7.6645 FFj0C= 0.5795 FFj0c= 3.1469 FFj0D=-0.0226 {F Dy3 2} FFj0A= 0.1157 FFj0a=15.0732 FFj0B= 0.3270 FFj0b= 6.7991 FFj0C= 0.5821 FFj0c= 3.0202 FFj0D=-0.0249 {F Ho2 2} FFj0A= 0.0995 FFj0a=18.1761 FFj0B= 0.3305 FFj0b= 7.8556 FFj0C= 0.5921 FFj0c= 2.9799 FFj0D=-0.0230 {F Ho3 2} FFj0A= 0.0566 FFj0a=18.3176 FFj0B= 0.3365 FFj0b= 7.6880 FFj0C= 0.6317 FFj0c= 2.9427 FFj0D=-0.0248 {F Er2 2} FFj0A= 0.1122 FFj0a=18.1223 FFj0B= 0.3462 FFj0b= 6.9106 FFj0C= 0.5649 FFj0c= 2.7614 FFj0D=-0.0235 {F Er3 2} FFj0A= 0.0586 FFj0a=17.9802 FFj0B= 0.3540 FFj0b= 7.0964 FFj0C= 0.6126 FFj0c= 2.7482 FFj0D=-0.0251 {F Tm2 2} FFj0A= 0.0983 FFj0a=18.3236 FFj0B= 0.3380 FFj0b= 6.9178 FFj0C= 0.5875 FFj0c= 2.6622 FFj0D=-0.0241 {F Tm3 2} FFj0A= 0.0581 FFj0a=15.0922 FFj0B= 0.2787 FFj0b= 7.8015 FFj0C= 0.6854 FFj0c= 2.7931 FFj0D=-0.0224 {F Yb2 2} FFj0A= 0.0855 FFj0a=18.5123 FFj0B= 0.2943 FFj0b= 7.3734 FFj0C= 0.6412 FFj0c= 2.6777 FFj0D=-0.0213 {F Yb3 2} FFj0A= 0.0416 FFj0a=16.0949 FFj0B= 0.2849 FFj0b= 7.8341 FFj0C= 0.6961 FFj0c= 2.6725 FFj0D=-0.0229 #Z {F Pr3 2} FFj0A= 0.0504 FFj0a=24.9989 FFj0B= 0.2572 FFj0b=12.0377 FFj0C= 0.7142 FFj0c= 5.0039 FFj0D=-0.0219 #Z #Z <j0> Form factors for actinide ions #Z {F U3 2} FFj0A= 0.5058 FFj0a=23.2882 FFj0B= 1.3464 FFj0b= 7.0028 FFj0C=-0.8724 FFj0c= 4.8683 FFj0D= 0.0192 {F U4 2} FFj0A= 0.3291 FFj0a=23.5475 FFj0B= 1.0836 FFj0b= 8.4540 FFj0C=-0.4340 FFj0c= 4.1196 FFj0D= 0.0214 {F U5 2} FFj0A= 0.3650 FFj0a=19.8038 FFj0B= 3.2199 FFj0b= 6.2818 FFj0C=-2.6077 FFj0c= 5.3010 FFj0D= 0.0233 {F Np3 2} FFj0A= 0.5157 FFj0a=20.8654 FFj0B= 2.2784 FFj0b= 5.8930 FFj0C=-1.8163 FFj0c= 4.8457 FFj0D= 0.0211 {F Np4 2} FFj0A= 0.4206 FFj0a=19.8046 FFj0B= 2.8004 FFj0b= 5.9783 FFj0C=-2.2436 FFj0c= 4.9848 FFj0D= 0.0228 {F Np5 2} FFj0A= 0.3692 FFj0a=18.1900 FFj0B= 3.1510 FFj0b= 5.8500 FFj0C=-2.5446 FFj0c= 4.9164 FFj0D= 0.0248 {F Np6 2} FFj0A= 0.2929 FFj0a=17.5611 FFj0B= 3.4866 FFj0b= 5.7847 FFj0C=-2.8066 FFj0c= 4.8707 FFj0D= 0.0267 {F Pu3 2} FFj0A= 0.3840 FFj0a=16.6793 FFj0B= 3.1049 FFj0b= 5.4210 FFj0C=-2.5148 FFj0c= 4.5512 FFj0D= 0.0263 {F Pu4 2} FFj0A= 0.4934 FFj0a=16.8355 FFj0B= 1.6394 FFj0b= 5.6384 FFj0C=-1.1581 FFj0c= 4.1399 FFj0D= 0.0248 {F Pu5 2} FFj0A= 0.3888 FFj0a=16.5592 FFj0B= 2.0362 FFj0b= 5.6567 FFj0C=-1.4515 FFj0c= 4.2552 FFj0D= 0.0267 {F Pu6 2} FFj0A= 0.3172 FFj0a=16.0507 FFj0B= 3.4654 FFj0b= 5.3507 FFj0C=-2.8102 FFj0c= 4.5133 FFj0D= 0.0281 {F Am2 2} FFj0A= 0.4743 FFj0a=21.7761 FFj0B= 1.5800 FFj0b= 5.6902 FFj0C=-1.0779 FFj0c= 4.1451 FFj0D= 0.0218 {F Am3 2} FFj0A= 0.4239 FFj0a=19.5739 FFj0B= 1.4573 FFj0b= 5.8722 FFj0C=-0.9052 FFj0c= 3.9682 FFj0D= 0.0238 {F Am4 2} FFj0A= 0.3737 FFj0a=17.8625 FFj0B= 1.3521 FFj0b= 6.0426 FFj0C=-0.7514 FFj0c= 3.7199 FFj0D= 0.0258 {F Am5 2} FFj0A= 0.2956 FFj0a=17.3725 FFj0B= 1.4525 FFj0b= 6.0734 FFj0C=-0.7755 FFj0c= 3.6619 FFj0D= 0.0277 {F Am6 2} FFj0A= 0.2302 FFj0a=16.9533 FFj0B= 1.4864 FFj0b= 6.1159 FFj0C=-0.7457 FFj0c= 3.5426 FFj0D= 0.0294 {F Am7 2} FFj0A= 0.3601 FFj0a=12.7299 FFj0B= 1.9640 FFj0b= 5.1203 FFj0C=-1.3560 FFj0c= 3.7142 FFj0D= 0.0316 #Z #Z <j2> form factors for 3d transition elements and their ions #Z {F Sc0 4} FFj2A=10.8172 FFj2a=54.3270 FFj2B= 4.7353 FFj2b=14.8471 FFj2C= 0.6071 FFj2c= 4.2180 FFj2D= 0.0011 {F Sc1 4} FFj2A= 8.5021 FFj2a=34.2851 FFj2B= 3.2116 FFj2b=10.9940 FFj2C= 0.4244 FFj2c= 3.6055 FFj2D= 0.0009 {F Sc2 4} FFj2A= 4.3683 FFj2a=28.6544 FFj2B= 3.7231 FFj2b=10.8233 FFj2C= 0.6074 FFj2c= 3.6678 FFj2D= 0.0014 {F Ti0 4} FFj2A= 4.3583 FFj2a=36.0556 FFj2B= 3.8230 FFj2b=11.1328 FFj2C= 0.6855 FFj2c= 3.4692 FFj2D= 0.0020 {F Ti1 4} FFj2A= 6.1567 FFj2a=27.2754 FFj2B= 2.6833 FFj2b= 8.9827 FFj2C= 0.4070 FFj2c= 3.0524 FFj2D= 0.0011 {F Ti2 4} FFj2A= 4.3107 FFj2a=18.3484 FFj2B= 2.0960 FFj2b= 6.7970 FFj2C= 0.2984 FFj2c= 2.5476 FFj2D= 0.0007 {F Ti3 4} FFj2A= 3.3717 FFj2a=14.4441 FFj2B= 1.8258 FFj2b= 5.7126 FFj2C= 0.2470 FFj2c= 2.2654 FFj2D= 0.0005 {F V0 4} FFj2A= 3.7600 FFj2a=21.8313 FFj2B= 2.4026 FFj2b= 7.5458 FFj2C= 0.4464 FFj2c= 2.6628 FFj2D= 0.0017 {F V1 4} FFj2A= 4.7474 FFj2a=23.3226 FFj2B= 2.3609 FFj2b= 7.8082 FFj2C= 0.4105 FFj2c= 2.7063 FFj2D= 0.0014 {F V2 4} FFj2A= 3.4386 FFj2a=16.5303 FFj2B= 1.9638 FFj2b= 6.1415 FFj2C= 0.2997 FFj2c= 2.2669 FFj2D= 0.0009 {F V3 4} FFj2A= 2.3005 FFj2a=14.6821 FFj2B= 2.0364 FFj2b= 6.1304 FFj2C= 0.4099 FFj2c= 2.3815 FFj2D= 0.0014 {F V4 4} FFj2A= 1.8377 FFj2a=12.2668 FFj2B= 1.8247 FFj2b= 5.4578 FFj2C= 0.3979 FFj2c= 2.2483 FFj2D= 0.0012 {F Cr0 4} FFj2A= 3.4085 FFj2a=20.1267 FFj2B= 2.1006 FFj2b= 6.8020 FFj2C= 0.4266 FFj2c= 2.3941 FFj2D= 0.0019 {F Cr1 4} FFj2A= 3.7768 FFj2a=20.3456 FFj2B= 2.1028 FFj2b= 6.8926 FFj2C= 0.4010 FFj2c= 2.4114 FFj2D= 0.0017 {F Cr2 4} FFj2A= 2.6422 FFj2a=16.0598 FFj2B= 1.9198 FFj2b= 6.2531 FFj2C= 0.4446 FFj2c= 2.3715 FFj2D= 0.0020 {F Cr3 4} FFj2A= 1.6262 FFj2a=15.0656 FFj2B= 2.0618 FFj2b= 6.2842 FFj2C= 0.5281 FFj2c= 2.3680 FFj2D= 0.0023 {F Cr4 4} FFj2A= 1.0293 FFj2a=13.9498 FFj2B= 1.9933 FFj2b= 6.0593 FFj2C= 0.5974 FFj2c= 2.3457 FFj2D= 0.0027 {F Mn0 4} FFj2A= 2.6681 FFj2a=16.0601 FFj2B= 1.7561 FFj2b= 5.6396 FFj2C= 0.3675 FFj2c= 2.0488 FFj2D= 0.0017 {F Mn1 4} FFj2A= 3.2953 FFj2a=18.6950 FFj2B= 1.8792 FFj2b= 6.2403 FFj2C= 0.3927 FFj2c= 2.2006 FFj2D= 0.0022 {F Mn2 4} FFj2A= 2.0515 FFj2a=15.5561 FFj2B= 1.8841 FFj2b= 6.0625 FFj2C= 0.4787 FFj2c= 2.2323 FFj2D= 0.0027 {F Mn3 4} FFj2A= 1.2427 FFj2a=14.9966 FFj2B= 1.9567 FFj2b= 6.1181 FFj2C= 0.5732 FFj2c= 2.2577 FFj2D= 0.0031 {F Mn4 4} FFj2A= 0.7879 FFj2a=13.8857 FFj2B= 1.8717 FFj2b= 5.7433 FFj2C= 0.5981 FFj2c= 2.1818 FFj2D= 0.0034 {F Mn5 4} FFj2A=-0.2394 FFj2a=10.7309 FFj2B=-0.1190 FFj2b= 6.5989 FFj2C= 0.3505 FFj2c= 1.4912 FFj2D= 0.0078 {F Fe0 4} FFj2A= 1.9405 FFj2a=18.4733 FFj2B= 1.9566 FFj2b= 6.3234 FFj2C= 0.5166 FFj2c= 2.1607 FFj2D= 0.0036 {F Fe1 4} FFj2A= 2.6290 FFj2a=18.6598 FFj2B= 1.8704 FFj2b= 6.3313 FFj2C= 0.4690 FFj2c= 2.1628 FFj2D= 0.0031 {F Fe2 4} FFj2A= 1.6490 FFj2a=16.5593 FFj2B= 1.9064 FFj2b= 6.1325 FFj2C= 0.5206 FFj2c= 2.1370 FFj2D= 0.0035 {F Fe3 4} FFj2A= 1.3602 FFj2a=11.9976 FFj2B= 1.5188 FFj2b= 5.0025 FFj2C= 0.4705 FFj2c= 1.9914 FFj2D= 0.0038 {F Fe4 4} FFj2A= 1.5582 FFj2a= 8.2750 FFj2B= 1.1863 FFj2b= 3.2794 FFj2C= 0.1366 FFj2c= 1.1068 FFj2D=-0.0022 {F Co0 4} FFj2A= 1.9678 FFj2a=14.1699 FFj2B= 1.4911 FFj2b= 4.9475 FFj2C= 0.3844 FFj2c= 1.7973 FFj2D= 0.0027 {F Co1 4} FFj2A= 2.4097 FFj2a=16.1608 FFj2B= 1.5780 FFj2b= 5.4604 FFj2C= 0.4095 FFj2c= 1.9141 FFj2D= 0.0031 {F Co2 4} FFj2A= 1.9049 FFj2a=11.6444 FFj2B= 1.3159 FFj2b= 4.3574 FFj2C= 0.3146 FFj2c= 1.6453 FFj2D= 0.0017 {F Co3 4} FFj2A= 1.7058 FFj2a= 8.8595 FFj2B= 1.1409 FFj2b= 3.3086 FFj2C= 0.1474 FFj2c= 1.0899 FFj2D=-0.0025 {F Co4 4} FFj2A= 1.3110 FFj2a= 8.0252 FFj2B= 1.1551 FFj2b= 3.1792 FFj2C= 0.1608 FFj2c= 1.1301 FFj2D=-0.0011 {F Ni0 4} FFj2A= 1.0302 FFj2a=12.2521 FFj2B= 1.4669 FFj2b= 4.7453 FFj2C= 0.4521 FFj2c= 1.7437 FFj2D= 0.0036 {F Ni1 4} FFj2A= 2.1040 FFj2a=14.8655 FFj2B= 1.4302 FFj2b= 5.0714 FFj2C= 0.4031 FFj2c= 1.7784 FFj2D= 0.0034 {F Ni2 4} FFj2A= 1.7080 FFj2a=11.0160 FFj2B= 1.2147 FFj2b= 4.1031 FFj2C= 0.3150 FFj2c= 1.5334 FFj2D= 0.0018 {F Ni3 4} FFj2A= 1.4683 FFj2a= 8.6713 FFj2B= 1.1068 FFj2b= 3.2574 FFj2C= 0.1794 FFj2c= 1.1058 FFj2D=-0.0023 {F Ni4 4} FFj2A= 1.1612 FFj2a= 7.7000 FFj2B= 1.0027 FFj2b= 3.2628 FFj2C= 0.2719 FFj2c= 1.3780 FFj2D= 0.0025 {F Cu0 4} FFj2A= 1.9182 FFj2a=14.4904 FFj2B= 1.3329 FFj2b= 4.7301 FFj2C= 0.3842 FFj2c= 1.6394 FFj2D= 0.0035 {F Cu1 4} FFj2A= 1.8814 FFj2a=13.4333 FFj2B= 1.2809 FFj2b= 4.5446 FFj2C= 0.3646 FFj2c= 1.6022 FFj2D= 0.0033 {F Cu2 4} FFj2A= 1.5189 FFj2a=10.4779 FFj2B= 1.1512 FFj2b= 3.8132 FFj2C= 0.2918 FFj2c= 1.3979 FFj2D= 0.0017 {F Cu3 4} FFj2A= 1.2797 FFj2a= 8.4502 FFj2B= 1.0315 FFj2b= 3.2796 FFj2C= 0.2401 FFj2c= 1.2498 FFj2D= 0.0015 {F Cu4 4} FFj2A= 0.9568 FFj2a= 7.4481 FFj2B= 0.9099 FFj2b= 3.3964 FFj2C= 0.3729 FFj2c= 1.4936 FFj2D= 0.0049 #Z #Z <j2> form factors for 4d atoms and ions #Z {F Y0 4} FFj2A=14.4084 FFj2a=44.6577 FFj2B= 5.1045 FFj2b=14.9043 FFj2C=-0.0535 FFj2c= 3.3189 FFj2D= 0.0028 {F Zr0 4} FFj2A=10.1378 FFj2a=35.3372 FFj2B= 4.7734 FFj2b=12.5453 FFj2C=-0.0489 FFj2c= 2.6721 FFj2D= 0.0036 {F Zr1 4} FFj2A=11.8722 FFj2a=34.9200 FFj2B= 4.0502 FFj2b=12.1266 FFj2C=-0.0632 FFj2c= 2.8278 FFj2D= 0.0034 {F Nb0 4} FFj2A= 7.4796 FFj2a=33.1789 FFj2B= 5.0884 FFj2b=11.5708 FFj2C=-0.0281 FFj2c= 1.5635 FFj2D= 0.0047 {F Nb1 4} FFj2A= 8.7735 FFj2a=33.2848 FFj2B= 4.6556 FFj2b=11.6046 FFj2C=-0.0268 FFj2c= 1.5389 FFj2D= 0.0044 {F Mo0 4} FFj2A= 5.1180 FFj2a=23.4217 FFj2B= 4.1809 FFj2b= 9.2080 FFj2C=-0.0505 FFj2c= 1.7434 FFj2D= 0.0053 {F Mo1 4} FFj2A= 7.2367 FFj2a=28.1282 FFj2B= 4.0705 FFj2b= 9.9228 FFj2C=-0.0317 FFj2c= 1.4552 FFj2D= 0.0049 {F Tc0 4} FFj2A= 4.2441 FFj2a=21.3974 FFj2B= 3.9439 FFj2b= 8.3753 FFj2C=-0.0371 FFj2c= 1.1870 FFj2D= 0.0066 {F Tc1 4} FFj2A= 6.4056 FFj2a=24.8243 FFj2B= 3.5400 FFj2b= 8.6112 FFj2C=-0.0366 FFj2c= 1.4846 FFj2D= 0.0044 {F Ru0 4} FFj2A= 3.7445 FFj2a=18.6128 FFj2B= 3.4749 FFj2b= 7.4201 FFj2C=-0.0363 FFj2c= 1.0068 FFj2D= 0.0073 {F Ru1 4} FFj2A= 5.2826 FFj2a=23.6832 FFj2B= 3.5813 FFj2b= 8.1521 FFj2C=-0.0257 FFj2c= 0.4255 FFj2D= 0.0131 {F Rh0 4} FFj2A= 3.3651 FFj2a=17.3444 FFj2B= 3.2121 FFj2b= 6.8041 FFj2C=-0.0350 FFj2c= 0.5031 FFj2D= 0.0146 {F Rh1 4} FFj2A= 4.0260 FFj2a=18.9497 FFj2B= 3.1663 FFj2b= 6.9998 FFj2C=-0.0296 FFj2c= 0.4862 FFj2D= 0.0127 {F Pd0 4} FFj2A= 3.3105 FFj2a=14.7265 FFj2B= 2.6332 FFj2b= 5.8618 FFj2C=-0.0437 FFj2c= 1.1303 FFj2D= 0.0053 {F Pd1 4} FFj2A= 4.2749 FFj2a=17.9002 FFj2B= 2.7021 FFj2b= 6.3541 FFj2C=-0.0258 FFj2c= 0.6999 FFj2D= 0.0071 #ZZ <j2> form factors for rare earth ions #Z {F Ce2 4} FFj2A= 0.9809 FFj2a=18.0630 FFj2B= 1.8413 FFj2b= 7.7688 FFj2C= 0.9905 FFj2c= 2.8452 FFj2D= 0.0120 {F Nd2 4} FFj2A= 1.4530 FFj2a=18.3398 FFj2B= 1.6196 FFj2b= 7.2854 FFj2C= 0.8752 FFj2c= 2.6224 FFj2D= 0.0126 {F Nd3 4} FFj2A= 0.6751 FFj2a=18.3421 FFj2B= 1.6272 FFj2b= 7.2600 FFj2C= 0.9644 FFj2c= 2.6016 FFj2D= 0.0150 {F Sm2 4} FFj2A= 1.0360 FFj2a=18.4249 FFj2B= 1.4769 FFj2b= 7.0321 FFj2C= 0.8810 FFj2c= 2.4367 FFj2D= 0.0152 {F Sm3 4} FFj2A= 0.4707 FFj2a=18.4301 FFj2B= 1.4261 FFj2b= 7.0336 FFj2C= 0.9574 FFj2c= 2.4387 FFj2D= 0.0182 {F Eu2 4} FFj2A= 0.8970 FFj2a=18.4429 FFj2B= 1.3769 FFj2b= 7.0054 FFj2C= 0.9060 FFj2c= 2.4213 FFj2D= 0.0190 {F Eu3 4} FFj2A= 0.3985 FFj2a=18.4514 FFj2B= 1.3307 FFj2b= 6.9556 FFj2C= 0.9603 FFj2c= 2.3780 FFj2D= 0.0197 {F Gd2 4} FFj2A= 0.7756 FFj2a=18.4695 FFj2B= 1.3124 FFj2b= 6.8990 FFj2C= 0.8956 FFj2c= 2.3383 FFj2D= 0.0199 {F Gd3 4} FFj2A= 0.3347 FFj2a=18.4758 FFj2B= 1.2465 FFj2b= 6.8767 FFj2C= 0.9537 FFj2c= 2.3184 FFj2D= 0.0217 {F Tb2 4} FFj2A= 0.6688 FFj2a=18.4909 FFj2B= 1.2487 FFj2b= 6.8219 FFj2C= 0.8888 FFj2c= 2.2751 FFj2D= 0.0215 {F Tb3 4} FFj2A= 0.2892 FFj2a=18.4973 FFj2B= 1.1678 FFj2b= 6.7972 FFj2C= 0.9437 FFj2c= 2.2573 FFj2D= 0.0232 {F Dy2 4} FFj2A= 0.5917 FFj2a=18.5114 FFj2B= 1.1828 FFj2b= 6.7465 FFj2C= 0.8801 FFj2c= 2.2141 FFj2D= 0.0229 {F Dy3 4} FFj2A= 0.2523 FFj2a=18.5172 FFj2B= 1.0914 FFj2b= 6.7362 FFj2C= 0.9345 FFj2c= 2.2082 FFj2D= 0.0250 {F Ho2 4} FFj2A= 0.5094 FFj2a=18.5155 FFj2B= 1.1234 FFj2b= 6.7060 FFj2C= 0.8727 FFj2c= 2.1589 FFj2D= 0.0242 {F Ho3 4} FFj2A= 0.2188 FFj2a=18.5157 FFj2B= 1.0240 FFj2b= 6.7070 FFj2C= 0.9251 FFj2c= 2.1614 FFj2D= 0.0268 {F Er2 4} FFj2A= 0.4693 FFj2a=18.5278 FFj2B= 1.0545 FFj2b= 6.6493 FFj2C= 0.8679 FFj2c= 2.1201 FFj2D= 0.0261 {F Er3 4} FFj2A= 0.1710 FFj2a=18.5337 FFj2B= 0.9879 FFj2b= 6.6246 FFj2C= 0.9044 FFj2c= 2.1004 FFj2D= 0.0278 {F Tm2 4} FFj2A= 0.4198 FFj2a=18.5417 FFj2B= 0.9959 FFj2b= 6.6002 FFj2C= 0.8593 FFj2c= 2.0818 FFj2D= 0.0284 {F Tm3 4} FFj2A= 0.1760 FFj2a=18.5417 FFj2B= 0.9105 FFj2b= 6.5787 FFj2C= 0.8970 FFj2c= 2.0622 FFj2D= 0.0294 {F Yb2 4} FFj2A= 0.3852 FFj2a=18.5497 FFj2B= 0.9415 FFj2b= 6.5507 FFj2C= 0.8492 FFj2c= 2.0425 FFj2D= 0.0301 {F Yb3 4} FFj2A= 0.1570 FFj2a=18.5553 FFj2B= 0.8484 FFj2b= 6.5403 FFj2C= 0.8880 FFj2c= 2.0367 FFj2D= 0.0318 #Z {F Pr3 4} FFj2A= 0.8734 FFj2a=18.9876 FFj2B= 1.5594 FFj2b= 6.0872 FFj2C= 0.8142 FFj2c= 2.4150 FFj2D= 0.0111 #Z #Z #Z <j2> Form factors for actinide ions #Z {F U3 4} FFj2A= 4.1582 FFj2a=16.5336 FFj2B= 2.4675 FFj2b= 5.9516 FFj2C=-0.0252 FFj2c= 0.7646 FFj2D= 0.0057 {F U4 4} FFj2A= 3.7449 FFj2a=13.8944 FFj2B= 2.6453 FFj2b= 4.8634 FFj2C=-0.5218 FFj2c= 3.1919 FFj2D= 0.0009 {F U5 4} FFj2A= 3.0724 FFj2a=12.5460 FFj2B= 2.3076 FFj2b= 5.2314 FFj2C=-0.0644 FFj2c= 1.4738 FFj2D= 0.0035 {F Np3 4} FFj2A= 3.7170 FFj2a=15.1333 FFj2B= 2.3216 FFj2b= 5.5025 FFj2C=-0.0275 FFj2c= 0.7996 FFj2D= 0.0052 {F Np4 4} FFj2A= 2.9203 FFj2a=14.6463 FFj2B= 2.5979 FFj2b= 5.5592 FFj2C=-0.0301 FFj2c= 0.3669 FFj2D= 0.0141 {F Np5 4} FFj2A= 2.3308 FFj2a=13.6540 FFj2B= 2.7219 FFj2b= 5.4935 FFj2C=-0.1357 FFj2c= 0.0493 FFj2D= 0.1224 {F Np6 4} FFj2A= 1.8245 FFj2a=13.1803 FFj2B= 2.8508 FFj2b= 5.4068 FFj2C=-0.1579 FFj2c= 0.0444 FFj2D= 0.1438 {F Pu3 4} FFj2A= 2.0885 FFj2a=12.8712 FFj2B= 2.5961 FFj2b= 5.1896 FFj2C=-0.1465 FFj2c= 0.0393 FFj2D= 0.1343 {F Pu4 4} FFj2A= 2.7244 FFj2a=12.9262 FFj2B= 2.3387 FFj2b= 5.1633 FFj2C=-0.1300 FFj2c= 0.0457 FFj2D= 0.1177 {F Pu5 4} FFj2A= 2.1409 FFj2a=12.8319 FFj2B= 2.5664 FFj2b= 5.1522 FFj2C=-0.1338 FFj2c= 0.0457 FFj2D= 0.1210 {F Pu6 4} FFj2A= 1.7262 FFj2a=12.3240 FFj2B= 2.6652 FFj2b= 5.0662 FFj2C=-0.1695 FFj2c= 0.0406 FFj2D= 0.1550 {F Am2 4} FFj2A= 3.5237 FFj2a=15.9545 FFj2B= 2.2855 FFj2b= 5.1946 FFj2C=-0.0142 FFj2c= 0.5853 FFj2D= 0.0033 {F Am3 4} FFj2A= 2.8622 FFj2a=14.7328 FFj2B= 2.4099 FFj2b= 5.1439 FFj2C=-0.1326 FFj2c= 0.0309 FFj2D= 0.1233 {F Am4 4} FFj2A= 2.4141 FFj2a=12.9478 FFj2B= 2.3687 FFj2b= 4.9447 FFj2C=-0.2490 FFj2c= 0.0215 FFj2D= 0.2371 {F Am5 4} FFj2A= 2.0109 FFj2a=12.0534 FFj2B= 2.4155 FFj2b= 4.8358 FFj2C=-0.2264 FFj2c= 0.0275 FFj2D= 0.2128 {F Am6 4} FFj2A= 1.6778 FFj2a=11.3372 FFj2B= 2.4531 FFj2b= 4.7247 FFj2C=-0.2043 FFj2c= 0.0337 FFj2D= 0.1892 {F Am7 4} FFj2A= 1.8845 FFj2a= 9.1606 FFj2B= 2.0746 FFj2b= 4.0422 FFj2C=-0.1318 FFj2c= 1.7227 FFj2D= 0.0020
#Z #Z <j4> form factors for 3d atoms and ions #Z {F Sc0 4} FFj4A= 1.3420 FFj4a=10.2000 FFj4B= 0.3837 FFj4b= 3.0786 FFj4C= 0.0468 FFj4c= 0.1178 FFj4D=-0.0328 {F Sc1 4} FFj4A= 7.1167 FFj4a=15.4872 FFj4B=-6.6671 FFj4b=18.2692 FFj4C= 0.4900 FFj4c= 2.9917 FFj4D= 0.0047 {F Sc2 4} FFj4A=-1.6684 FFj4a=15.6475 FFj4B= 1.7742 FFj4b= 9.0624 FFj4C= 0.4075 FFj4c= 2.4116 FFj4D= 0.0042 {F Ti0 4} FFj4A=-2.1515 FFj4a=11.2705 FFj4B= 2.5149 FFj4b= 8.8590 FFj4C= 0.3555 FFj4c= 2.1491 FFj4D= 0.0045 {F Ti1 4} FFj4A=-1.0383 FFj4a=16.1899 FFj4B= 1.4699 FFj4b= 8.9239 FFj4C= 0.3631 FFj4c= 2.2834 FFj4D= 0.0044 {F Ti2 4} FFj4A=-1.3242 FFj4a=15.3096 FFj4B= 1.2042 FFj4b= 7.8994 FFj4C= 0.3976 FFj4c= 2.1562 FFj4D= 0.0051 {F Ti3 4} FFj4A=-1.1117 FFj4a=14.6349 FFj4B= 0.7689 FFj4b= 6.9267 FFj4C= 0.4385 FFj4c= 2.0886 FFj4D= 0.0060 {F V0 4} FFj4A=-0.9633 FFj4a=15.2729 FFj4B= 0.9274 FFj4b= 7.7315 FFj4C= 0.3891 FFj4c= 2.0530 FFj4D= 0.0063 {F V1 4} FFj4A=-0.9606 FFj4a=15.5451 FFj4B= 1.1278 FFj4b= 8.1182 FFj4C= 0.3653 FFj4c= 2.0973 FFj4D= 0.0056 {F V2 4} FFj4A=-1.1729 FFj4a=14.9732 FFj4B= 0.9092 FFj4b= 7.6131 FFj4C= 0.4105 FFj4c= 2.0391 FFj4D= 0.0067 {F V3 4} FFj4A=-0.9417 FFj4a=14.2045 FFj4B= 0.5284 FFj4b= 6.6071 FFj4C= 0.4411 FFj4c= 1.9672 FFj4D= 0.0076 {F V4 4} FFj4A=-0.7654 FFj4a=13.0970 FFj4B= 0.3071 FFj4b= 5.6739 FFj4C= 0.4476 FFj4c= 1.8707 FFj4D= 0.0081 {F Cr0 4} FFj4A=-0.6670 FFj4a=19.6128 FFj4B= 0.5342 FFj4b= 6.4779 FFj4C= 0.3641 FFj4c= 1.9045 FFj4D= 0.0073 {F Cr1 4} FFj4A=-0.8309 FFj4a=18.0428 FFj4B= 0.7252 FFj4b= 7.5313 FFj4C= 0.3828 FFj4c= 2.0032 FFj4D= 0.0073 {F Cr2 4} FFj4A=-0.8930 FFj4a=15.6641 FFj4B= 0.5590 FFj4b= 7.0333 FFj4C= 0.4093 FFj4c= 1.9237 FFj4D= 0.0081 {F Cr3 4} FFj4A=-0.7327 FFj4a=14.0727 FFj4B= 0.3268 FFj4b= 5.6741 FFj4C= 0.4114 FFj4c= 1.8101 FFj4D= 0.0085 {F Cr4 4} FFj4A=-0.6748 FFj4a=12.9462 FFj4B= 0.1805 FFj4b= 6.7527 FFj4C= 0.4526 FFj4c= 1.7999 FFj4D= 0.0098 {F Mn0 4} FFj4A=-0.5452 FFj4a=15.4713 FFj4B= 0.4406 FFj4b= 4.9024 FFj4C= 0.2884 FFj4c= 1.5430 FFj4D= 0.0059 {F Mn1 4} FFj4A=-0.7947 FFj4a=17.8673 FFj4B= 0.6078 FFj4b= 7.7044 FFj4C= 0.3798 FFj4c= 1.9045 FFj4D= 0.0087 {F Mn2 4} FFj4A=-0.7416 FFj4a=15.2555 FFj4B= 0.3831 FFj4b= 6.4693 FFj4C= 0.3935 FFj4c= 1.7997 FFj4D= 0.0093 {F Mn3 4} FFj4A=-0.6603 FFj4a=13.6066 FFj4B= 0.2322 FFj4b= 6.2175 FFj4C= 0.4104 FFj4c= 1.7404 FFj4D= 0.0101 {F Mn4 4} FFj4A=-0.5127 FFj4a=13.4613 FFj4B= 0.0313 FFj4b= 7.7631 FFj4C= 0.4282 FFj4c= 1.7006 FFj4D= 0.0113 {F Mn5 4} FFj4A= 1.6706 FFj4a= 6.6566 FFj4B=-1.8204 FFj4b= 6.1942 FFj4C= 0.1925 FFj4c= 0.3249 FFj4D=-0.0433 {F Fe0 4} FFj4A=-0.5029 FFj4a=19.6768 FFj4B= 0.2999 FFj4b= 3.7762 FFj4C= 0.2576 FFj4c= 1.4241 FFj4D= 0.0071 {F Fe1 4} FFj4A=-0.5109 FFj4a=19.2501 FFj4B= 0.3896 FFj4b= 4.8913 FFj4C= 0.2810 FFj4c= 1.5265 FFj4D= 0.0069 {F Fe2 4} FFj4A=-0.5401 FFj4a=17.2268 FFj4B= 0.2865 FFj4b= 3.7422 FFj4C= 0.2658 FFj4c= 1.4238 FFj4D= 0.0076 {F Fe3 4} FFj4A=-0.5507 FFj4a=11.4929 FFj4B= 0.2153 FFj4b= 4.9063 FFj4C= 0.3468 FFj4c= 1.5230 FFj4D= 0.0095 {F Fe4 4} FFj4A=-0.5352 FFj4a= 9.5068 FFj4B= 0.1783 FFj4b= 5.1750 FFj4C= 0.3584 FFj4c= 1.4689 FFj4D= 0.0097 {F Co0 4} FFj4A=-0.4221 FFj4a=14.1952 FFj4B= 0.2900 FFj4b= 3.9786 FFj4C= 0.2469 FFj4c= 1.2859 FFj4D= 0.0063 {F Co1 4} FFj4A=-0.4115 FFj4a=14.5615 FFj4B= 0.3580 FFj4b= 4.7170 FFj4C= 0.2644 FFj4c= 1.4183 FFj4D= 0.0074 {F Co2 4} FFj4A=-0.4759 FFj4a=14.0462 FFj4B= 0.2747 FFj4b= 3.7306 FFj4C= 0.2458 FFj4c= 1.2504 FFj4D= 0.0057 {F Co3 4} FFj4A=-0.4466 FFj4a=13.3912 FFj4B= 0.1419 FFj4b= 3.0110 FFj4C= 0.2773 FFj4c= 1.3351 FFj4D= 0.0093 {F Co4 4} FFj4A=-0.4091 FFj4a=13.1937 FFj4B=-0.0194 FFj4b= 3.4169 FFj4C= 0.3534 FFj4c= 1.4214 FFj4D= 0.0112 {F Ni0 4} FFj4A=-0.4428 FFj4a=14.4850 FFj4B= 0.0870 FFj4b= 3.2345 FFj4C= 0.2932 FFj4c= 1.3305 FFj4D= 0.0096 {F Ni1 4} FFj4A=-0.3836 FFj4a=13.4246 FFj4B= 0.3116 FFj4b= 4.4619 FFj4C= 0.2471 FFj4c= 1.3088 FFj4D= 0.0079 {F Ni2 4} FFj4A=-0.3803 FFj4a=10.4033 FFj4B= 0.2838 FFj4b= 3.3780 FFj4C= 0.2108 FFj4c= 1.1036 FFj4D= 0.0050 {F Ni3 4} FFj4A=-0.4014 FFj4a= 9.0462 FFj4B= 0.2314 FFj4b= 3.0753 FFj4C= 0.2192 FFj4c= 1.0838 FFj4D= 0.0060 {F Ni4 4} FFj4A=-0.3509 FFj4a= 8.1572 FFj4B= 0.2220 FFj4b= 2.1063 FFj4C= 0.1567 FFj4c= 0.9253 FFj4D= 0.0065 {F Cu0 4} FFj4A=-0.3204 FFj4a=15.1324 FFj4B= 0.2335 FFj4b= 4.0205 FFj4C= 0.2312 FFj4c= 1.1957 FFj4D= 0.0068 {F Cu1 4} FFj4A=-0.3572 FFj4a=15.1251 FFj4B= 0.2336 FFj4b= 3.9662 FFj4C= 0.2315 FFj4c= 1.1967 FFj4D= 0.0070 {F Cu2 4} FFj4A=-0.3914 FFj4a=14.7400 FFj4B= 0.1275 FFj4b= 3.3840 FFj4C= 0.2548 FFj4c= 1.2552 FFj4D= 0.0103 {F Cu3 4} FFj4A=-0.3671 FFj4a=14.0816 FFj4B=-0.0078 FFj4b= 3.3149 FFj4C= 0.3154 FFj4c= 1.3767 FFj4D= 0.0132 {F Cu4 4} FFj4A=-0.2915 FFj4a=14.1243 FFj4B=-0.1065 FFj4b= 4.2008 FFj4C= 0.3247 FFj4c= 1.3516 FFj4D= 0.0148 #Z #Z <j4> form factors for 4d atoms and ions #Z {F Y0 4} FFj4A=-8.0767 FFj4a=32.2014 FFj4B= 7.9197 FFj4b=25.1563 FFj4C= 1.4067 FFj4c= 6.8268 FFj4D=-0.0001 {F Zr0 4} FFj4A=-5.2697 FFj4a=32.8680 FFj4B= 4.1930 FFj4b=24.1833 FFj4C= 1.5202 FFj4c= 6.0481 FFj4D=-0.0002 {F Zr1 4} FFj4A=-5.6384 FFj4a=33.6071 FFj4B= 4.6729 FFj4b=22.3383 FFj4C= 1.3258 FFj4c= 5.9245 FFj4D=-0.0003 {F Nb0 4} FFj4A=-3.1377 FFj4a=25.5948 FFj4B= 2.3411 FFj4b=16.5686 FFj4C= 1.2304 FFj4c= 4.9903 FFj4D=-0.0005 {F Nb1 4} FFj4A=-3.3598 FFj4a=25.8202 FFj4B= 2.8297 FFj4b=16.4273 FFj4C= 1.1203 FFj4c= 4.9824 FFj4D=-0.0005 {F Mo0 4} FFj4A=-2.8860 FFj4a=20.5717 FFj4B= 1.8130 FFj4b=14.6281 FFj4C= 1.1899 FFj4c= 4.2638 FFj4D=-0.0008 {F Mo1 4} FFj4A=-3.2618 FFj4a=25.4862 FFj4B= 2.3596 FFj4b=16.4622 FFj4C= 1.1164 FFj4c= 4.4913 FFj4D=-0.0007 {F Tc0 4} FFj4A=-2.7975 FFj4a=20.1589 FFj4B= 1.6520 FFj4b=16.2609 FFj4C= 1.1726 FFj4c= 3.9427 FFj4D=-0.0008 {F Tc1 4} FFj4A=-2.0470 FFj4a=19.6830 FFj4B= 1.6306 FFj4b=11.5925 FFj4C= 0.8698 FFj4c= 3.7689 FFj4D=-0.0010 {F Ru0 4} FFj4A=-1.5042 FFj4a=17.9489 FFj4B= 0.6027 FFj4b= 9.9608 FFj4C= 0.9700 FFj4c= 3.3927 FFj4D=-0.0010 {F Ru1 4} FFj4A=-1.6278 FFj4a=18.5063 FFj4B= 1.1828 FFj4b=10.1886 FFj4C= 0.8138 FFj4c= 3.4180 FFj4D=-0.0009 {F Rh0 4} FFj4A=-1.3492 FFj4a=17.5766 FFj4B= 0.4527 FFj4b=10.5066 FFj4C= 0.9285 FFj4c= 3.1555 FFj4D=-0.0009 {F Rh1 4} FFj4A=-1.4673 FFj4a=17.9572 FFj4B= 0.7381 FFj4b= 9.9444 FFj4C= 0.8485 FFj4c= 3.1263 FFj4D=-0.0012 {F Pd0 4} FFj4A=-1.1955 FFj4a=17.6282 FFj4B= 0.3183 FFj4b=11.3094 FFj4C= 0.8696 FFj4c= 2.9089 FFj4D=-0.0006 {F Pd1 4} FFj4A=-1.4098 FFj4a=17.7650 FFj4B= 0.7927 FFj4b= 9.9991 FFj4C= 0.7710 FFj4c= 2.9297 FFj4D=-0.0006 #Z #Z <j4> form factors for rare earth ions #Z {F Ce2 4} FFj4A=-0.6468 FFj4a=10.5331 FFj4B= 0.4052 FFj4b= 5.6243 FFj4C= 0.3412 FFj4c= 1.5346 FFj4D= 0.0080 {F Nd2 4} FFj4A=-0.5744 FFj4a=10.9304 FFj4B= 0.4210 FFj4b= 6.1052 FFj4C= 0.3124 FFj4c= 1.4654 FFj4D= 0.0081 {F Nd2 4} FFj4A=-0.5416 FFj4a=12.2043 FFj4B= 0.3571 FFj4b= 6.1695 FFj4C= 0.3154 FFj4c= 1.4847 FFj4D= 0.0098 {F Nd3 4} FFj4A=-0.4053 FFj4a=14.0141 FFj4B= 0.0329 FFj4b= 7.0046 FFj4C= 0.3759 FFj4c= 1.7074 FFj4D= 0.0209 {F Sm2 4} FFj4A=-0.4150 FFj4a=14.0570 FFj4B= 0.1368 FFj4b= 7.0317 FFj4C= 0.3272 FFj4c= 1.5825 FFj4D= 0.0192 {F Sm3 4} FFj4A=-0.4288 FFj4a=10.0525 FFj4B= 0.1782 FFj4b= 5.0191 FFj4C= 0.2833 FFj4c= 1.2364 FFj4D= 0.0088 {F Eu2 4} FFj4A=-0.4145 FFj4a=10.1930 FFj4B= 0.2447 FFj4b= 5.1644 FFj4C= 0.2661 FFj4c= 1.2054 FFj4D= 0.0065 {F Eu3 4} FFj4A=-0.4095 FFj4a=10.2113 FFj4B= 0.1485 FFj4b= 5.1755 FFj4C= 0.2720 FFj4c= 1.2374 FFj4D= 0.0131 {F Gd2 4} FFj4A=-0.3824 FFj4a=10.3436 FFj4B= 0.1955 FFj4b= 5.3057 FFj4C= 0.2622 FFj4c= 1.2032 FFj4D= 0.0097 {F Gd3 4} FFj4A=-0.3621 FFj4a=10.3531 FFj4B= 0.1016 FFj4b= 5.3104 FFj4C= 0.2649 FFj4c= 1.2185 FFj4D= 0.0147 {F Tb2 4} FFj4A=-0.3443 FFj4a=10.4686 FFj4B= 0.1481 FFj4b= 5.4156 FFj4C= 0.2575 FFj4c= 1.1824 FFj4D= 0.0104 {F Tb3 4} FFj4A=-0.3228 FFj4a=10.4763 FFj4B= 0.0638 FFj4b= 5.4189 FFj4C= 0.2566 FFj4c= 1.1962 FFj4D= 0.0159 {F Dy2 4} FFj4A=-0.3206 FFj4a=12.0714 FFj4B= 0.0904 FFj4b= 8.0264 FFj4C= 0.2616 FFj4c= 1.2296 FFj4D= 0.0143 {F Dy3 4} FFj4A=-0.2829 FFj4a= 9.5247 FFj4B= 0.0565 FFj4b= 4.4292 FFj4C= 0.2437 FFj4c= 1.0665 FFj4D= 0.0092 {F Ho2 4} FFj4A=-0.2976 FFj4a= 9.7190 FFj4B= 0.1224 FFj4b= 4.6345 FFj4C= 0.2279 FFj4c= 1.0052 FFj4D= 0.0063 {F Ho3 4} FFj4A=-0.2717 FFj4a= 9.7313 FFj4B= 0.0474 FFj4b= 4.6378 FFj4C= 0.2292 FFj4c= 1.0473 FFj4D= 0.0124 {F Er2 4} FFj4A=-0.2975 FFj4a= 9.8294 FFj4B= 0.1189 FFj4b= 4.7406 FFj4C= 0.2116 FFj4c= 1.0039 FFj4D= 0.0117 {F Er3 4} FFj4A=-0.2568 FFj4a= 9.8339 FFj4B= 0.0356 FFj4b= 4.7415 FFj4C= 0.2172 FFj4c= 1.0281 FFj4D= 0.0148 {F Tm2 4} FFj4A=-0.2677 FFj4a= 9.8883 FFj4B= 0.0925 FFj4b= 4.7838 FFj4C= 0.2056 FFj4c= 0.9896 FFj4D= 0.0124 {F Tm3 4} FFj4A=-0.2292 FFj4a= 9.8948 FFj4B= 0.0124 FFj4b= 4.7850 FFj4C= 0.2108 FFj4c= 1.0071 FFj4D= 0.0151 {F Yb2 4} FFj4A=-0.2393 FFj4a= 9.9469 FFj4B= 0.0663 FFj4b= 4.8231 FFj4C= 0.2009 FFj4c= 0.9651 FFj4D= 0.0122 {F Yb3 4} FFj4A=-0.2121 FFj4a= 8.1967 FFj4B= 0.0325 FFj4b= 3.1533 FFj4C= 0.1975 FFj4c= 0.8842 FFj4D= 0.0093 #Z {F Pr3 4} FFj4A=-0.3970 FFj4a=10.9919 FFj4B= 0.0818 FFj4b= 5.9897 FFj4C= 0.3656 FFj4c= 1.5021 FFj4D= 0.0110 #Z #Z <j4> Form factors for actinide ions #Z {F U3 4} FFj4A=-0.9859 FFj4a=16.6010 FFj4B= 0.6116 FFj4b= 6.5147 FFj4C= 0.6020 FFj4c= 2.5970 FFj4D=-0.0010 {F U4 4} FFj4A=-1.0540 FFj4a=16.6055 FFj4B= 0.4339 FFj4b= 6.5119 FFj4C= 0.6746 FFj4c= 2.5993 FFj4D=-0.0011 {F U5 4} FFj4A=-0.9588 FFj4a=16.4851 FFj4B= 0.1576 FFj4b= 6.4397 FFj4C= 0.7785 FFj4c= 2.6402 FFj4D=-0.0010 {F Np3 4} FFj4A=-0.9029 FFj4a=16.5858 FFj4B= 0.4006 FFj4b= 6.4699 FFj4C= 0.6545 FFj4c= 2.5631 FFj4D=-0.0004 {F Np4 4} FFj4A=-0.9887 FFj4a=12.4415 FFj4B= 0.5918 FFj4b= 5.2941 FFj4C= 0.5306 FFj4c= 2.2625 FFj4D=-0.0021 {F Np5 4} FFj4A=-0.8146 FFj4a=16.5809 FFj4B=-0.0055 FFj4b= 6.4751 FFj4C= 0.7956 FFj4c= 2.5623 FFj4D=-0.0004 {F Np6 4} FFj4A=-0.6738 FFj4a=16.5531 FFj4B=-0.2297 FFj4b= 6.5055 FFj4C= 0.8513 FFj4c= 2.5528 FFj4D=-0.0003 {F Pu3 4} FFj4A=-0.7014 FFj4a=16.3687 FFj4B=-0.1162 FFj4b= 6.6971 FFj4C= 0.7778 FFj4c= 2.4502 FFj4D= 0.0000 {F Pu4 4} FFj4A=-0.9160 FFj4a=12.2027 FFj4B= 0.4891 FFj4b= 5.1274 FFj4C= 0.5290 FFj4c= 2.1487 FFj4D=-0.0022 {F Pu5 4} FFj4A=-0.7035 FFj4a=16.3601 FFj4B=-0.0979 FFj4b= 6.7057 FFj4C= 0.7726 FFj4c= 2.4475 FFj4D= 0.0000 {F Pu6 4} FFj4A=-0.5560 FFj4a=16.3215 FFj4B=-0.3046 FFj4b= 6.7685 FFj4C= 0.8146 FFj4c= 2.4259 FFj4D= 0.0001 {F Am2 4} FFj4A=-0.7433 FFj4a=16.4163 FFj4B= 0.3481 FFj4b= 6.7884 FFj4C= 0.6014 FFj4c= 2.3465 FFj4D= 0.0000 {F Am3 4} FFj4A=-0.8092 FFj4a=12.8542 FFj4B= 0.4161 FFj4b= 5.4592 FFj4C= 0.5476 FFj4c= 2.1721 FFj4D=-0.0011 {F Am4 4} FFj4A=-0.8548 FFj4a=12.2257 FFj4B= 0.3037 FFj4b= 5.9087 FFj4C= 0.6173 FFj4c= 2.1881 FFj4D=-0.0016 {F Am5 4} FFj4A=-0.6538 FFj4a=15.4625 FFj4B=-0.0948 FFj4b= 5.9971 FFj4C= 0.7295 FFj4c= 2.2968 FFj4D= 0.0000 {F Am6 4} FFj4A=-0.5390 FFj4a=15.4491 FFj4B=-0.2689 FFj4b= 6.0169 FFj4C= 0.7711 FFj4c= 2.2970 FFj4D= 0.0002 {F Am7 4} FFj4A=-0.4688 FFj4a=12.0193 FFj4B=-0.2692 FFj4b= 7.0415 FFj4C= 0.7297 FFj4c= 2.1638 FFj4D=-0.0011
#Z #Z <j6> form factors for rare earth ions #Z {F Ce2 4} FFj6A=-0.1212 FFj6a= 7.9940 FFj6B=-0.0639 FFj6b= 4.0244 FFj6C= 0.1519 FFj6c= 1.0957 FFj6D= 0.0078 {F Nd2 4} FFj6A=-0.1600 FFj6a= 8.0086 FFj6B= 0.0272 FFj6b= 4.0284 FFj6C= 0.1104 FFj6c= 1.0682 FFj6D= 0.0139 {F Nd3 4} FFj6A=-0.0416 FFj6a= 8.0136 FFj6B=-0.1261 FFj6b= 4.0399 FFj6C= 0.1400 FFj6c= 1.0873 FFj6D= 0.0102 {F Sm2 4} FFj6A=-0.1428 FFj6a= 6.0407 FFj6B= 0.0723 FFj6b= 2.0329 FFj6C= 0.0550 FFj6c= 0.5134 FFj6D= 0.0081 {F Sm3 4} FFj6A=-0.0944 FFj6a= 6.0299 FFj6B=-0.0498 FFj6b= 2.0743 FFj6C= 0.1372 FFj6c= 0.6451 FFj6D=-0.0132 {F Eu2 4} FFj6A=-0.1252 FFj6a= 6.0485 FFj6B= 0.0507 FFj6b= 2.0852 FFj6C= 0.0572 FFj6c= 0.6460 FFj6D= 0.0132 {F Eu3 4} FFj6A=-0.0817 FFj6a= 6.0389 FFj6B=-0.0596 FFj6b= 2.1198 FFj6C= 0.1243 FFj6c= 0.7639 FFj6D=-0.0001 {F Gd2 4} FFj6A=-0.1351 FFj6a= 5.0298 FFj6B= 0.0828 FFj6b= 2.0248 FFj6C= 0.0315 FFj6c= 0.5034 FFj6D= 0.0187 {F Gd3 4} FFj6A=-0.0662 FFj6a= 6.0308 FFj6B=-0.0850 FFj6b= 2.1542 FFj6C= 0.1323 FFj6c= 0.8910 FFj6D= 0.0048 {F Tb2 4} FFj6A=-0.0758 FFj6a= 6.0319 FFj6B=-0.0540 FFj6b= 2.1583 FFj6C= 0.1199 FFj6c= 0.8895 FFj6D= 0.0051 {F Tb3 4} FFj6A=-0.0559 FFj6a= 6.0311 FFj6B=-0.1020 FFj6b= 2.2365 FFj6C= 0.1264 FFj6c= 1.1066 FFj6D= 0.0167 {F Dy2 4} FFj6A=-0.0568 FFj6a= 6.0324 FFj6B=-0.1003 FFj6b= 2.2396 FFj6C= 0.1401 FFj6c= 1.1062 FFj6D= 0.0109 {F Dy3 4} FFj6A=-0.0423 FFj6a= 6.0376 FFj6B=-0.1248 FFj6b= 2.2437 FFj6C= 0.1359 FFj6c= 1.2002 FFj6D= 0.0188 {F Ho2 4} FFj6A=-0.0725 FFj6a= 6.0453 FFj6B=-0.0318 FFj6b= 2.2428 FFj6C= 0.0738 FFj6c= 1.2018 FFj6D= 0.0252 {F Ho3 4} FFj6A=-0.0289 FFj6a= 6.0504 FFj6B=-0.1545 FFj6b= 2.2305 FFj6C= 0.1550 FFj6c= 1.2605 FFj6D= 0.0177 {F Er2 4} FFj6A=-0.0648 FFj6a= 6.0559 FFj6B=-0.0515 FFj6b= 2.2303 FFj6C= 0.0825 FFj6c= 1.2638 FFj6D= 0.0250 {F Er3 4} FFj6A=-0.0110 FFj6a= 6.0609 FFj6B=-0.1954 FFj6b= 2.2242 FFj6C= 0.1818 FFj6c= 1.2958 FFj6D= 0.0149 {F Tm2 4} FFj6A=-0.0842 FFj6a= 4.0699 FFj6B= 0.0807 FFj6b= 0.8492 FFj6C=-0.2087 FFj6c= 0.0386 FFj6D= 0.2095 {F Tm3 4} FFj6A=-0.0727 FFj6a= 4.0730 FFj6B= 0.0243 FFj6b= 0.6888 FFj6C= 3.9459 FFj6c= 0.0023 FFj6D=-3.9076 {F Yb2 4} FFj6A=-0.0739 FFj6a= 5.0306 FFj6B= 0.0140 FFj6b= 2.0300 FFj6C= 0.0351 FFj6c= 0.5080 FFj6D= 0.0174 {F Yb3 4} FFj6A=-0.0345 FFj6a= 5.0073 FFj6B=-0.0677 FFj6b= 2.0198 FFj6C= 0.0985 FFj6c= 0.5485 FFj6D=-0.0076 #Z {F Pr3 4} FFj6A=-0.0224 FFj6a= 7.9931 FFj6B=-0.1202 FFj6b= 3.9406 FFj6C= 0.1299 FFj6c= 0.8938 FFj6D= 0.0051 #Z #Z <j6> Form factors for actinide ions #Z {F U3 4} FFj6A=-0.3797 FFj6a= 9.9525 FFj6B= 0.0459 FFj6b= 5.0379 FFj6C= 0.2748 FFj6c= 1.6072 FFj6D= 0.0016 {F U4 4} FFj6A=-0.1793 FFj6a=11.8961 FFj6B=-0.2269 FFj6b= 5.4280 FFj6C= 0.3291 FFj6c= 1.7008 FFj6D= 0.0030 {F U5 4} FFj6A=-0.0399 FFj6a=11.8909 FFj6B=-0.3458 FFj6b= 5.5803 FFj6C= 0.3340 FFj6c= 1.6448 FFj6D= 0.0029 {F Np3 4} FFj6A=-0.2427 FFj6a=11.8444 FFj6B=-0.1129 FFj6b= 5.3774 FFj6C= 0.2848 FFj6c= 1.5676 FFj6D= 0.0022 {F Np4 4} FFj6A=-0.2436 FFj6a= 9.5988 FFj6B=-0.1317 FFj6b= 4.1014 FFj6C= 0.3029 FFj6c= 1.5447 FFj6D= 0.0019 {F Np5 4} FFj6A=-0.1157 FFj6a= 9.5649 FFj6B=-0.2654 FFj6b= 4.2599 FFj6C= 0.3298 FFj6c= 1.5494 FFj6D= 0.0025 {F Np6 4} FFj6A=-0.0128 FFj6a= 9.5692 FFj6B=-0.3611 FFj6b= 4.3035 FFj6C= 0.3419 FFj6c= 1.5406 FFj6D= 0.0032 {F Pu3 4} FFj6A=-0.0364 FFj6a= 9.5721 FFj6B=-0.3181 FFj6b= 4.3424 FFj6C= 0.3210 FFj6c= 1.5233 FFj6D= 0.0041 {F Pu4 4} FFj6A=-0.2394 FFj6a= 7.8367 FFj6B=-0.0785 FFj6b= 4.0243 FFj6C= 0.2643 FFj6c= 1.3776 FFj6D= 0.0012 {F Pu5 4} FFj6A=-0.1090 FFj6a= 7.8188 FFj6B=-0.2243 FFj6b= 4.1000 FFj6C= 0.2947 FFj6c= 1.4040 FFj6D= 0.0015 {F Pu6 4} FFj6A=-0.0001 FFj6a= 7.8196 FFj6B=-0.3354 FFj6b= 4.1439 FFj6C= 0.3097 FFj6c= 1.4027 FFj6D= 0.0020 {F Am2 4} FFj6A=-0.3176 FFj6a= 7.8635 FFj6B= 0.0771 FFj6b= 4.1611 FFj6C= 0.2194 FFj6c= 1.3387 FFj6D= 0.0018 {F Am3 4} FFj6A=-0.3159 FFj6a= 6.9821 FFj6B= 0.0682 FFj6b= 3.9948 FFj6C= 0.2141 FFj6c= 1.1875 FFj6D=-0.0015 {F Am4 4} FFj6A=-0.1787 FFj6a= 7.8805 FFj6B=-0.1274 FFj6b= 4.0898 FFj6C= 0.2565 FFj6c= 1.3152 FFj6D= 0.0017 {F Am5 4} FFj6A=-0.0927 FFj6a= 6.0727 FFj6B=-0.2227 FFj6b= 3.7840 FFj6C= 0.2916 FFj6c= 1.3723 FFj6D= 0.0026 {F Am6 4} FFj6A= 0.0152 FFj6a= 6.0788 FFj6B=-0.3549 FFj6b= 3.8610 FFj6C= 0.3125 FFj6c= 1.4031 FFj6D= 0.0036 {F Am7 4} FFj6A= 0.1292 FFj6a= 6.0816 FFj6B=-0.4689 FFj6b= 3.8791 FFj6C= 0.3234 FFj6c= 1.3934 FFj6D= 0.0042
For 5d Elements another exponential is added, values are taken from Kobayashi et al. Acta Cryst (2011). A67, 473–480:
(190) | |||
(191) | |||
(192) |
# # j0 form factors for the 5d electrons of transition atoms and ions # # Atoms and ions # electronic configuration A0 a0 B0 b0 C0 c0 D0 d0 E0 e (deviation of fit) #
Hf2p_6s05d2 FFj0A=0.4229 FFj0a=50.465 FFj0B=0.7333 FFj0b=23.865 FFj0C=0.3798 FFj0c=4.051 FFj0D=0.2252 FFj0d=2.497 FFj0E=0.0018 0.0080 Hf3p_6s05d1 FFj0A=0.3555 FFj0a=40.954 FFj0B=0.8483 FFj0b=21.726 FFj0C=0.4116 FFj0c=4.305 FFj0D=0.2101 FFj0d=2.349 FFj0E=0.0023 0.0051 Ta2p_6s05d3 FFj0A=0.3976 FFj0a=45.095 FFj0B=0.7746 FFj0b=21.028 FFj0C=0.6098 FFj0c=3.471 FFj0D=0.4395 FFj0d=2.570 FFj0E=0.0020 0.0077 Ta3p_6s05d2 FFj0A=0.3611 FFj0a=36.921 FFj0B=0.8579 FFj0b=19.195 FFj0C=0.4945 FFj0c=3.857 FFj0D=0.2781 FFj0d=2.303 FFj0E=0.0026 0.0057 Ta4p_6s05d1 FFj0A=0.3065 FFj0a=31.817 FFj0B=0.9611 FFj0b=17.749 FFj0C=0.5463 FFj0c=3.979 FFj0D=0.2816 FFj0d=2.232 FFj0E=0.0030 0.0050 W_6s05d6 FFj0A=0.3990 FFj0a=73.810 FFj0B=0.7138 FFj0b=22.815 FFj0C=2.0436 FFj0c=2.710 FFj0D=1.9319 FFj0d=2.559 FFj0E=0.0023 0.0524 W_6s15d5 FFj0A=0.3811 FFj0a=62.707 FFj0B=0.7523 FFj0b=21.434 FFj0C=12.5449 FFj0c=2.702 FFj0D=12.4130 FFj0d=2.674 FFj0E=0.0023 0.0365 W_6s25d4 FFj0A=0.3653 FFj0a=53.965 FFj0B=0.7926 FFj0b=20.078 FFj0C=0.8142 FFj0c=3.030 FFj0D=0.6581 FFj0d=2.476 FFj0E=0.0023 0.0247 W1p_6s05d5 FFj0A=0.4077 FFj0a=51.367 FFj0B=0.7436 FFj0b=20.256 FFj0C=9.8283 FFj0c=2.780 FFj0D=9.6788 FFj0d=2.740 FFj0E=0.0021 0.0198 W1p_6s15d4 FFj0A=0.3834 FFj0a=46.233 FFj0B=0.7890 FFj0b=19.278 FFj0C=1.4650 FFj0c=2.947 FFj0D=1.2945 FFj0d=2.628 FFj0E=0.0022 0.0138 W2p_6s05d4 FFj0A=0.3876 FFj0a=40.340 FFj0B=0.8008 FFj0b=18.621 FFj0C=1.3911 FFj0c=2.995 FFj0D=1.2048 FFj0d=2.627 FFj0E=0.0023 0.0081 W3p_6s05d3 FFj0A=0.3610 FFj0a=33.519 FFj0B=0.8717 FFj0b=17.176 FFj0C=0.6183 FFj0c=3.445 FFj0D=0.3883 FFj0d=2.276 FFj0E=0.0028 0.0041 W4p_6s05d2 FFj0A=0.3221 FFj0a=29.047 FFj0B=0.9574 FFj0b=15.979 FFj0C=0.6287 FFj0c=3.597 FFj0D=0.3525 FFj0d=2.174 FFj0E=0.0033 0.0034 W5p_6s05d1 FFj0A=0.2725 FFj0a=25.966 FFj0B=1.0558 FFj0b=14.954 FFj0C=0.6990 FFj0c=3.643 FFj0D=0.3745 FFj0d=2.145 FFj0E=0.0037 0.0045 Re_6s05d7 FFj0A=0.3807 FFj0a=63.042 FFj0B=0.7497 FFj0b=19.967 FFj0C=6.5300 FFj0c=2.501 FFj0D=6.4013 FFj0d=2.451 FFj0E=0.0028 0.0480 Re_6s15d6 FFj0A=0.3691 FFj0a=53.934 FFj0B=0.7837 FFj0b=18.790 FFj0C=9.1491 FFj0c=2.558 FFj0D=8.9983 FFj0d=2.517 FFj0E=0.0027 0.0333 Re_6s25d5 FFj0A=0.3548 FFj0a=47.108 FFj0B=0.8210 FFj0b=17.769 FFj0C=9.8674 FFj0c=2.599 FFj0D=9.6938 FFj0d=2.556 FFj0E=0.0027 0.0248 Re1p_6s05d6 FFj0A=0.3944 FFj0a=45.427 FFj0B=0.7742 FFj0b=17.948 FFj0C=3.1692 FFj0c=2.653 FFj0D=3.0028 FFj0d=2.521 FFj0E=0.0026 0.0192 Re1p_6s15d5 FFj0A=0.3736 FFj0a=41.151 FFj0B=0.8160 FFj0b=17.158 FFj0C=7.0396 FFj0c=2.642 FFj0D=6.8523 FFj0d=2.577 FFj0E=0.0026 0.0139 Re2p_6s05d5 FFj0A=0.3825 FFj0a=36.336 FFj0B=0.8218 FFj0b=16.636 FFj0C=8.7220 FFj0c=2.657 FFj0D=8.5201 FFj0d=2.601 FFj0E=0.0026 0.0083 Re3p_6s05d4 FFj0A=0.3585 FFj0a=30.671 FFj0B=0.8863 FFj0b=15.527 FFj0C=0.8682 FFj0c=3.047 FFj0D=0.6263 FFj0d=2.280 FFj0E=0.0030 0.0052 Re4p_6s05d3 FFj0A=0.2974 FFj0a=27.372 FFj0B=0.9826 FFj0b=14.807 FFj0C=1.8869 FFj0c=2.840 FFj0D=1.6100 FFj0d=2.476 FFj0E=0.0031 0.0036 Re5p_6s05d2 FFj0A=0.3143 FFj0a=23.522 FFj0B=1.0276 FFj0b=13.505 FFj0C=0.7438 FFj0c=3.393 FFj0D=0.4059 FFj0d=2.030 FFj0E=0.0041 0.0037 Re6p_6s05d1 FFj0A=0.2146 FFj0a=22.496 FFj0B=1.1616 FFj0b=13.064 FFj0C=1.0455 FFj0c=3.162 FFj0D=0.6734 FFj0d=2.196 FFj0E=0.0041 0.0035 Os_6s05d8 FFj0A=0.3676 FFj0a=54.835 FFj0B=0.7793 FFj0b=17.716 FFj0C=2.0669 FFj0c=2.418 FFj0D=1.9224 FFj0d=2.247 FFj0E=0.0034 0.0446 Os_6s15d7 FFj0A=0.3571 FFj0a=47.458 FFj0B=0.8123 FFj0b=16.770 FFj0C=1.2072 FFj0c=2.556 FFj0D=1.0404 FFj0d=2.211 FFj0E=0.0033 0.0314 Os_6s25d6 FFj0A=0.3467 FFj0a=41.778 FFj0B=0.8458 FFj0b=15.918 FFj0C=5.6370 FFj0c=2.459 FFj0D=5.4472 FFj0d=2.381 FFj0E=0.0032 0.0222 Os1p_6s05d7 FFj0A=0.3837 FFj0a=40.665 FFj0B=0.8006 FFj0b=16.096 FFj0C=3.5305 FFj0c=2.487 FFj0D=3.3488 FFj0d=2.366 FFj0E=0.0030 0.0190 Os1p_6s15d6 FFj0A=0.3666 FFj0a=36.997 FFj0B=0.8390 FFj0b=15.425 FFj0C=2.6944 FFj0c=2.537 FFj0D=2.4916 FFj0d=2.360 FFj0E=0.0031 0.0140 Os2p_6s05d6 FFj0A=0.3786 FFj0a=33.005 FFj0B=0.8412 FFj0b=14.990 FFj0C=7.0632 FFj0c=2.503 FFj0D=6.8462 FFj0d=2.433 FFj0E=0.0030 0.0098 Os3p_6s05d5 FFj0A=0.3557 FFj0a=28.222 FFj0B=0.9002 FFj0b=14.140 FFj0C=2.5972 FFj0c=2.601 FFj0D=2.3444 FFj0d=2.376 FFj0E=0.0032 0.0041 Os4p_6s05d4 FFj0A=0.3337 FFj0a=24.723 FFj0B=0.9655 FFj0b=13.288 FFj0C=0.9653 FFj0c=2.906 FFj0D=0.6698 FFj0d=2.117 FFj0E=0.0037 0.0050 Os5p_6s05d3 FFj0A=0.3055 FFj0a=22.152 FFj0B=1.0395 FFj0b=12.529 FFj0C=0.9158 FFj0c=3.016 FFj0D=0.5750 FFj0d=2.032 FFj0E=0.0042 0.0022 Os6p_6s05d2 FFj0A=0.2714 FFj0a=20.218 FFj0B=1.1211 FFj0b=11.851 FFj0C=0.9773 FFj0c=3.050 FFj0D=0.5894 FFj0d=2.005 FFj0E=0.0046 0.0021 Os7p_6s05d1 FFj0A=0.2101 FFj0a=19.108 FFj0B=1.2240 FFj0b=11.347 FFj0C=1.2543 FFj0c=2.933 FFj0D=0.8250 FFj0d=2.088 FFj0E=0.0048 0.0022 Ir_6s05d9 FFj0A=0.3564 FFj0a=48.464 FFj0B=0.8049 FFj0b=15.923 FFj0C=2.5258 FFj0c=2.265 FFj0D=2.3675 FFj0d=2.121 FFj0E=0.0040 0.0420 Ir_6s15d8 FFj0A=0.3492 FFj0a=42.195 FFj0B=0.8350 FFj0b=15.113 FFj0C=5.1496 FFj0c=2.279 FFj0D=4.9686 FFj0d=2.201 FFj0E=0.0038 0.0296 Ir_6s25d7 FFj0A=0.3400 FFj0a=37.499 FFj0B=0.8675 FFj0b=14.402 FFj0C=2.3703 FFj0c=2.370 FFj0D=2.1661 FFj0d=2.177 FFj0E=0.0037 0.0214 Ir1p_6s05d8 FFj0A=0.3744 FFj0a=36.764 FFj0B=0.8240 FFj0b=14.576 FFj0C=8.8616 FFj0c=2.303 FFj0D=8.6664 FFj0d=2.255 FFj0E=0.0035 0.0191 Ir1p_6s15d7 FFj0A=0.3604 FFj0a=33.570 FFj0B=0.8597 FFj0b=13.993 FFj0C=2.1686 FFj0c=2.412 FFj0D=1.9518 FFj0d=2.188 FFj0E=0.0036 0.0142 Ir2p_6s05d7 FFj0A=0.3802 FFj0a=30.032 FFj0B=0.8550 FFj0b=13.567 FFj0C=1.6185 FFj0c=2.488 FFj0D=1.3866 FFj0d=2.162 FFj0E=0.0035 0.0094 Ir3p_6s05d6 FFj0A=0.3678 FFj0a=25.828 FFj0B=0.9065 FFj0b=12.788 FFj0C=0.8587 FFj0c=2.745 FFj0D=0.5883 FFj0d=1.960 FFj0E=0.0040 0.0049 Ir4p_6s05d5 FFj0A=0.3969 FFj0a=22.050 FFj0B=0.9310 FFj0b=11.768 FFj0C=0.7090 FFj0c=3.017 FFj0D=0.3857 FFj0d=1.778 FFj0E=0.0047 0.0045 Ir5p_6s05d4 FFj0A=0.3059 FFj0a=20.759 FFj0B=1.0432 FFj0b=11.622 FFj0C=1.3457 FFj0c=2.655 FFj0D=1.0008 FFj0d=2.066 FFj0E=0.0043 0.0043 Ir6p_6s05d3 FFj0A=0.2854 FFj0a=18.867 FFj0B=1.1123 FFj0b=10.982 FFj0C=1.1403 FFj0c=2.782 FFj0D=0.7475 FFj0d=1.959 FFj0E=0.0049 0.0035 Pt1p_6s05d9 FFj0A=0.3664 FFj0a=33.503 FFj0B=0.8449 FFj0b=13.303 FFj0C=2.6192 FFj0c=2.227 FFj0D=2.4116 FFj0d=2.059 FFj0E=0.0041 0.0189 Pt2p_6s05d8 FFj0A=0.3701 FFj0a=27.799 FFj0B=0.8761 FFj0b=12.480 FFj0C=3.2959 FFj0c=2.258 FFj0D=3.0535 FFj0d=2.106 FFj0E=0.0040 0.0098 Pt3p_6s05d7 FFj0A=0.3606 FFj0a=24.052 FFj0B=0.9205 FFj0b=11.833 FFj0C=4.0612 FFj0c=2.271 FFj0D=3.7841 FFj0d=2.133 FFj0E=0.0041 0.0049 Pt4p_6s05d6 FFj0A=0.3429 FFj0a=21.358 FFj0B=0.9753 FFj0b=11.261 FFj0C=2.2859 FFj0c=2.357 FFj0D=1.9719 FFj0d=2.074 FFj0E=0.0043 0.0033 Pt5p_6s05d5 FFj0A=0.3649 FFj0a=18.762 FFj0B=1.0102 FFj0b=10.456 FFj0C=0.8785 FFj0c=2.765 FFj0D=0.5087 FFj0d=1.737 FFj0E=0.0053 0.0033 Pt6p_6s05d4 FFj0A=0.2877 FFj0a=17.780 FFj0B=1.1111 FFj0b=10.263 FFj0C=1.9416 FFj0c=2.432 FFj0D=1.5477 FFj0d=2.015 FFj0E=0.0049 0.0026 Au1p_6s15d9 FFj0A=0.3475 FFj0a=28.294 FFj0B=0.8964 FFj0b=11.794 FFj0C=4.5383 FFj0c=2.086 FFj0D=4.2988 FFj0d=1.983 FFj0E=0.0047 0.0143 Au2p_6s05d9 FFj0A=0.3664 FFj0a=25.714 FFj0B=0.8919 FFj0b=11.488 FFj0C=1.7302 FFj0c=2.207 FFj0D=1.4763 FFj0d=1.908 FFj0E=0.0046 0.0102 Au3p_6s05d8 FFj0A=0.3639 FFj0a=22.330 FFj0B=0.9313 FFj0b=10.883 FFj0C=1.1359 FFj0c=2.355 FFj0D=0.8455 FFj0d=1.809 FFj0E=0.0048 0.0068 Au4p_6s05d7 FFj0A=0.3472 FFj0a=19.944 FFj0B=0.9807 FFj0b=10.424 FFj0C=3.8228 FFj0c=2.169 FFj0D=3.4995 FFj0d=2.009 FFj0E=0.0047 0.0040 Au5p_6s05d6 FFj0A=0.3292 FFj0a=18.073 FFj0B=1.0376 FFj0b=9.957 FFj0C=2.2028 FFj0c=2.257 FFj0D=1.8410 FFj0d=1.938 FFj0E=0.0050 0.0035 # # # j2 form factors for the 5d electrons of transition atoms and ions # # Atoms and ions # electronic configuration A2 a2 B2 b2 C2 c2 D2 d2 E2 e # Hf2p_6s05d2 FFj2A=9.6670 FFj2a=33.435 FFj2B=5.2429 FFj2b=13.529 FFj2C=0.5533 FFj2c=1.402 FFj2D=0.4934 FFj2d=1.254 FFj2E=0.0033 0.0448 Hf3p_6s05d1 FFj2A=7.5646 FFj2a=27.367 FFj2B=5.0743 FFj2b=12.402 FFj2C=0.4133 FFj2c=1.742 FFj2D=0.3163 FFj2d=1.437 FFj2E=0.0012 0.0251 Ta2p_6s05d3 FFj2A=8.1746 FFj2a=29.871 FFj2B=4.9405 FFj2b=12.188 FFj2C=1.1294 FFj2c=1.254 FFj2D=1.0658 FFj2d=1.181 FFj2E=0.0046 0.0411 Ta3p_6s05d2 FFj2A=6.5998 FFj2a=25.026 FFj2B=4.7913 FFj2b=11.303 FFj2C=0.7801 FFj2c=1.529 FFj2D=0.6820 FFj2d=1.382 FFj2E=0.0019 0.0239 Ta4p_6s05d1 FFj2A=5.5048 FFj2a=21.620 FFj2B=4.6734 FFj2b=10.556 FFj2C=0.2181 FFj2c=2.100 FFj2D=0.0810 FFj2d=1.049 FFj2E=0.0016 0.0154 W_6s05d6 FFj2A=8.4216 FFj2a=64.652 FFj2B=7.6983 FFj2b=23.124 FFj2C=2.3605 FFj2c=8.583 FFj2D=0.3876 FFj2d=4.620 FFj2E=0.0033 0.0424 W_6s15d5 FFj2A=6.9289 FFj2a=53.425 FFj2B=7.2157 FFj2b=20.016 FFj2C=5.7754 FFj2c=6.543 FFj2D=4.2114 FFj2d=5.854 FFj2E=0.0036 0.0398 W_6s25d4 FFj2A=5.4017 FFj2a=47.110 FFj2B=6.9113 FFj2b=18.760 FFj2C=7.0586 FFj2c=6.363 FFj2D=5.4525 FFj2d=5.802 FFj2E=0.0040 0.0400 W1p_6s05d5 FFj2A=5.6854 FFj2a=44.743 FFj2B=6.8903 FFj2b=18.753 FFj2C=7.8523 FFj2c=6.308 FFj2D=6.3447 FFj2d=5.842 FFj2E=0.0038 0.0383 W1p_6s15d4 FFj2A=4.5118 FFj2a=41.281 FFj2B=6.7136 FFj2b=17.964 FFj2C=7.6331 FFj2c=6.269 FFj2D=6.0365 FFj2d=5.758 FFj2E=0.0042 0.0405 W2p_6s05d4 FFj2A=7.0301 FFj2a=26.990 FFj2B=4.6604 FFj2b=11.083 FFj2C=0.8220 FFj2c=1.145 FFj2D=0.7581 FFj2d=1.042 FFj2E=0.0068 0.0381 W3p_6s05d3 FFj2A=5.8036 FFj2a=22.969 FFj2B=4.5243 FFj2b=10.361 FFj2C=0.7897 FFj2c=1.388 FFj2D=0.6927 FFj2d=1.248 FFj2E=0.0031 0.0229 W4p_6s05d2 FFj2A=4.9006 FFj2a=20.117 FFj2B=4.4360 FFj2b=9.765 FFj2C=2.0009 FFj2c=1.497 FFj2D=1.8714 FFj2d=1.431 FFj2E=0.0014 0.0145 W5p_6s05d1 FFj2A=4.1973 FFj2a=17.967 FFj2B=4.3791 FFj2b=9.255 FFj2C=1.8830 FFj2c=1.603 FFj2D=1.7205 FFj2d=1.518 FFj2E=0.0004 0.0088 Re_6s05d7 FFj2A=6.7574 FFj2a=55.529 FFj2B=6.7931 FFj2b=20.125 FFj2C=2.3113 FFj2c=7.529 FFj2D=0.5004 FFj2d=4.412 FFj2E=0.0037 0.0365 Re_6s15d6 FFj2A=5.5830 FFj2a=46.852 FFj2B=6.4516 FFj2b=17.855 FFj2C=5.0609 FFj2c=6.037 FFj2D=3.5427 FFj2d=5.312 FFj2E=0.0040 0.0334 Re_6s25d5 FFj2A=4.4322 FFj2a=41.798 FFj2B=6.2063 FFj2b=16.844 FFj2C=9.8763 FFj2c=5.751 FFj2D=8.3294 FFj2d=5.406 FFj2E=0.0043 0.0327 Re1p_6s05d6 FFj2A=4.7231 FFj2a=40.130 FFj2B=6.2139 FFj2b=16.902 FFj2C=8.8240 FFj2c=5.766 FFj2D=7.3608 FFj2d=5.396 FFj2E=0.0042 0.0316 Re1p_6s15d5 FFj2A=3.7875 FFj2a=37.254 FFj2B=6.0587 FFj2b=16.264 FFj2C=6.9896 FFj2c=5.786 FFj2D=5.4457 FFj2d=5.279 FFj2E=0.0045 0.0329 Re2p_6s05d5 FFj2A=3.0708 FFj2a=33.896 FFj2B=5.9941 FFj2b=15.817 FFj2C=6.7816 FFj2c=5.768 FFj2D=5.2056 FFj2d=5.231 FFj2E=0.0047 0.0343 Re3p_6s05d4 FFj2A=1.7870 FFj2a=31.248 FFj2B=5.9068 FFj2b=15.160 FFj2C=17.4262 FFj2c=5.551 FFj2D=15.6856 FFj2d=5.339 FFj2E=0.0053 0.0374 Re4p_6s05d3 FFj2A=4.4033 FFj2a=18.733 FFj2B=4.1971 FFj2b=9.047 FFj2C=2.3106 FFj2c=1.352 FFj2D=2.1866 FFj2d=1.299 FFj2E=0.0025 0.0158 Re5p_6s05d2 FFj2A=3.8162 FFj2a=16.843 FFj2B=4.1400 FFj2b=8.605 FFj2C=4.0882 FFj2c=1.443 FFj2D=3.9333 FFj2d=1.408 FFj2E=0.0012 0.0132 Re6p_6s05d1 FFj2A=3.3349 FFj2a=15.341 FFj2B=4.1015 FFj2b=8.213 FFj2C=2.3511 FFj2c=1.531 FFj2D=2.1651 FFj2d=1.459 FFj2E=0.0003 0.0067 Os_6s05d8 FFj2A=5.5418 FFj2a=48.893 FFj2B=6.0803 FFj2b=17.984 FFj2C=2.2542 FFj2c=6.853 FFj2D=0.5285 FFj2d=4.095 FFj2E=0.0040 0.0303 Os_6s15d7 FFj2A=4.6511 FFj2a=41.610 FFj2B=5.8194 FFj2b=16.062 FFj2C=6.7172 FFj2c=5.447 FFj2D=5.2689 FFj2d=4.986 FFj2E=0.0043 0.0274 Os_6s25d6 FFj2A=3.7421 FFj2a=37.491 FFj2B=5.6137 FFj2b=15.256 FFj2C=10.0488 FFj2c=5.293 FFj2D=8.5683 FFj2d=4.991 FFj2E=0.0046 0.0259 Os1p_6s05d7 FFj2A=4.0236 FFj2a=36.272 FFj2B=5.6349 FFj2b=15.338 FFj2C=8.6568 FFj2c=5.318 FFj2D=7.2505 FFj2d=4.980 FFj2E=0.0044 0.0253 Os1p_6s15d6 FFj2A=3.2611 FFj2a=33.818 FFj2B=5.4945 FFj2b=14.808 FFj2C=5.7610 FFj2c=5.391 FFj2D=4.2811 FFj2d=4.827 FFj2E=0.0048 0.0261 Os2p_6s05d6 FFj2A=2.7289 FFj2a=30.900 FFj2B=5.4357 FFj2b=14.396 FFj2C=18.6546 FFj2c=5.151 FFj2D=17.1708 FFj2d=4.993 FFj2E=0.0050 0.0268 Os3p_6s05d5 FFj2A=4.5913 FFj2a=19.692 FFj2B=4.0615 FFj2b=8.862 FFj2C=0.9950 FFj2c=1.086 FFj2D=0.9081 FFj2d=0.986 FFj2E=0.0077 0.0206 Os4p_6s05d4 FFj2A=3.9724 FFj2a=17.514 FFj2B=3.9817 FFj2b=8.421 FFj2C=0.7719 FFj2c=1.264 FFj2D=0.6552 FFj2d=1.107 FFj2E=0.0042 0.0131 Os5p_6s05d3 FFj2A=3.4764 FFj2a=15.826 FFj2B=3.9241 FFj2b=8.032 FFj2C=0.6854 FFj2c=1.397 FFj2D=0.5394 FFj2d=1.184 FFj2E=0.0024 0.0098 Os6p_6s05d2 FFj2A=3.0642 FFj2a=14.479 FFj2B=3.8847 FFj2b=7.686 FFj2C=4.7235 FFj2c=1.384 FFj2D=4.5485 FFj2d=1.352 FFj2E=0.0012 0.0063 Os7p_6s05d1 FFj2A=2.7164 FFj2a=13.366 FFj2B=3.8554 FFj2b=7.370 FFj2C=5.0211 FFj2c=1.439 FFj2D=4.8166 FFj2d=1.405 FFj2E=0.0004 0.0064 Ir_6s05d9 FFj2A=4.6102 FFj2a=43.878 FFj2B=5.4892 FFj2b=16.394 FFj2C=2.1707 FFj2c=6.423 FFj2D=0.4761 FFj2d=3.722 FFj2E=0.0043 0.0254 Ir_6s15d8 FFj2A=3.9372 FFj2a=37.508 FFj2B=5.2846 FFj2b=14.661 FFj2C=3.7267 FFj2c=5.263 FFj2D=2.3158 FFj2d=4.416 FFj2E=0.0045 0.0217 Ir_6s25d7 FFj2A=3.2263 FFj2a=33.922 FFj2B=5.1086 FFj2b=13.921 FFj2C=6.5993 FFj2c=4.978 FFj2D=5.1841 FFj2d=4.549 FFj2E=0.0048 0.0203 Ir1p_6s05d8 FFj2A=3.4956 FFj2a=32.991 FFj2B=5.1369 FFj2b=13.998 FFj2C=8.3991 FFj2c=4.924 FFj2D=7.0561 FFj2d=4.612 FFj2E=0.0047 0.0196 Ir1p_6s15d7 FFj2A=2.8732 FFj2a=30.809 FFj2B=5.0094 FFj2b=13.522 FFj2C=6.8656 FFj2c=4.933 FFj2D=5.4669 FFj2d=4.526 FFj2E=0.0050 0.0199 Ir2p_6s05d7 FFj2A=2.4419 FFj2a=28.356 FFj2B=4.9470 FFj2b=13.222 FFj2C=4.7478 FFj2c=5.029 FFj2D=3.3259 FFj2d=4.393 FFj2E=0.0052 0.0208 Ir3p_6s05d6 FFj2A=1.5883 FFj2a=25.969 FFj2B=4.8472 FFj2b=12.711 FFj2C=5.6507 FFj2c=4.949 FFj2D=4.1190 FFj2d=4.388 FFj2E=0.0056 0.0218 Ir4p_6s05d5 FFj2A=3.5964 FFj2a=16.439 FFj2B=3.7872 FFj2b=7.873 FFj2C=1.2303 FFj2c=1.092 FFj2D=1.1232 FFj2d=1.003 FFj2E=0.0068 0.0127 Ir5p_6s05d4 FFj2A=3.1710 FFj2a=14.923 FFj2B=3.7320 FFj2b=7.529 FFj2C=1.5400 FFj2c=1.200 FFj2D=1.4048 FFj2d=1.119 FFj2E=0.0040 0.0091 Ir6p_6s05d3 FFj2A=2.8163 FFj2a=13.697 FFj2B=3.6906 FFj2b=7.219 FFj2C=5.2957 FFj2c=1.254 FFj2D=5.1328 FFj2d=1.228 FFj2E=0.0024 0.0109 Pt1p_6s05d9 FFj2A=3.0783 FFj2a=30.198 FFj2B=4.7065 FFj2b=12.857 FFj2C=5.7270 FFj2c=4.650 FFj2D=4.4425 FFj2d=4.222 FFj2E=0.0048 0.0156 Pt2p_6s05d8 FFj2A=2.2407 FFj2a=26.003 FFj2B=4.5300 FFj2b=12.118 FFj2C=6.7189 FFj2c=4.557 FFj2D=5.3954 FFj2d=4.187 FFj2E=0.0053 0.0147 Pt3p_6s05d7 FFj2A=1.5391 FFj2a=23.689 FFj2B=4.4263 FFj2b=11.645 FFj2C=8.5673 FFj2c=4.482 FFj2D=7.1591 FFj2d=4.181 FFj2E=0.0057 0.0160 Pt4p_6s05d6 FFj2A=0.9477 FFj2a=22.775 FFj2B=4.3337 FFj2b=11.319 FFj2C=7.2374 FFj2c=4.500 FFj2D=5.7086 FFj2d=4.106 FFj2E=0.0062 0.0166 Pt5p_6s05d5 FFj2A=0.5132 FFj2a=23.124 FFj2B=4.1835 FFj2b=11.009 FFj2C=7.4312 FFj2c=4.478 FFj2D=5.7759 FFj2d=4.065 FFj2E=0.0066 0.0176 Pt6p_6s05d4 FFj2A=2.5907 FFj2a=12.991 FFj2B=3.5155 FFj2b=6.801 FFj2C=0.7511 FFj2c=1.206 FFj2D=0.6014 FFj2d=1.022 FFj2E=0.0043 0.0070 Au1p_6s15d9 FFj2A=2.3189 FFj2a=25.954 FFj2B=4.2267 FFj2b=11.444 FFj2C=9.0997 FFj2c=4.215 FFj2D=7.8523 FFj2d=3.981 FFj2E=0.0052 0.0120 Au2p_6s05d9 FFj2A=2.0676 FFj2a=23.960 FFj2B=4.1678 FFj2b=11.164 FFj2C=13.3827 FFj2c=4.151 FFj2D=12.1447 FFj2d=3.996 FFj2E=0.0054 0.0130 Au3p_6s05d8 FFj2A=1.4776 FFj2a=21.784 FFj2B=4.0585 FFj2b=10.746 FFj2C=5.9059 FFj2c=4.242 FFj2D=4.5905 FFj2d=3.842 FFj2E=0.0058 0.0116 Au4p_6s05d7 FFj2A=2.9775 FFj2a=14.632 FFj2B=3.4472 FFj2b=6.956 FFj2C=1.9784 FFj2c=0.794 FFj2D=1.8980 FFj2d=0.745 FFj2E=0.0182 0.0123 Au5p_6s05d6 FFj2A=0.5763 FFj2a=20.517 FFj2B=3.8572 FFj2b=10.171 FFj2C=6.0222 FFj2c=4.213 FFj2D=4.5020 FFj2d=3.760 FFj2E=0.0067 0.0129 # # j4 form factors for the 5d electrons of transition atoms and ions from Hf to Re. # # Atoms and ions # electronic configuration A4 a4 B4 b4 C4 c4 D4 d4 E4 e # Hf2p_6s05d2 FFj4A=2.5342 FFj4a=43.826 FFj4B=1.8466 FFj4b=10.393 FFj4C=0.7761 FFj4c=4.888 FFj4D=0.0327 FFj4d=1.589 FFj4E=0.0017 0.0046 Hf3p_6s05d1 FFj4A=2.3574 FFj4a=32.651 FFj4B=1.8717 FFj4b=8.476 FFj4C=0.6367 FFj4c=3.953 FFj4D=0.1133 FFj4d=2.169 FFj4E=0.0017 0.0048 Ta2p_6s05d3 FFj4A=2.1974 FFj4a=38.294 FFj4B=1.6220 FFj4b=8.838 FFj4C=0.6836 FFj4c=4.212 FFj4D=0.0539 FFj4d=1.746 FFj4E=0.0016 0.0069 Ta3p_6s05d2 FFj4A=2.0884 FFj4a=29.531 FFj4B=1.7145 FFj4b=7.385 FFj4C=1.1809 FFj4c=2.994 FFj4D=0.7705 FFj4d=2.577 FFj4E=0.0016 0.0066 Ta4p_6s05d1 FFj4A=2.0226 FFj4a=24.035 FFj4B=1.7084 FFj4b=6.594 FFj4C=1.1799 FFj4c=2.775 FFj4D=0.8384 FFj4d=2.430 FFj4E=0.0020 0.0053 W_6s05d6 FFj4A=2.1307 FFj4a=79.955 FFj4B=1.4055 FFj4b=11.876 FFj4C=0.8808 FFj4c=4.969 FFj4D=0.0120 FFj4d=0.419 FFj4E=0.0051 0.0085 W_6s15d5 FFj4A=1.9667 FFj4a=60.069 FFj4B=1.3446 FFj4b=9.992 FFj4C=0.7861 FFj4c=4.554 FFj4D=0.0197 FFj4d=1.087 FFj4E=0.0021 0.0083 W_6s25d4 FFj4A=1.8575 FFj4a=47.554 FFj4B=1.3868 FFj4b=8.437 FFj4C=0.6537 FFj4c=3.939 FFj4D=0.0570 FFj4d=1.722 FFj4E=0.0015 0.0092 W1p_6s05d5 FFj4A=2.0231 FFj4a=46.962 FFj4B=1.3937 FFj4b=9.263 FFj4C=0.7420 FFj4c=4.332 FFj4D=0.0288 FFj4d=1.327 FFj4E=0.0018 0.0062 W1p_6s15d4 FFj4A=1.9122 FFj4a=39.952 FFj4B=1.4385 FFj4b=8.019 FFj4C=0.6336 FFj4c=3.725 FFj4D=0.0819 FFj4d=1.868 FFj4E=0.0015 0.0073 W2p_6s05d4 FFj4A=1.9355 FFj4a=33.935 FFj4B=1.5020 FFj4b=7.541 FFj4C=0.6453 FFj4c=3.375 FFj4D=0.1601 FFj4d=2.110 FFj4E=0.0015 0.0063 W3p_6s05d3 FFj4A=1.8752 FFj4a=26.706 FFj4B=1.5440 FFj4b=6.585 FFj4C=5.9785 FFj4c=2.575 FFj4D=5.6111 FFj4d=2.516 FFj4E=0.0018 0.0061 W4p_6s05d2 FFj4A=1.8309 FFj4a=22.142 FFj4B=1.5605 FFj4b=5.935 FFj4C=1.4898 FFj4c=2.482 FFj4D=1.1930 FFj4d=2.266 FFj4E=0.0022 0.0066 W5p_6s05d1 FFj4A=1.7958 FFj4a=18.987 FFj4B=1.5913 FFj4b=5.419 FFj4C=2.0498 FFj4c=2.278 FFj4D=1.8262 FFj4d=2.156 FFj4E=0.0026 0.0050 Re_6s05d7 FFj4A=1.8013 FFj4a=63.944 FFj4B=1.1773 FFj4b=9.808 FFj4C=0.7912 FFj4c=4.380 FFj4D=0.0155 FFj4d=0.795 FFj4E=0.0027 0.0080 Re_6s15d6 FFj4A=1.7056 FFj4a=49.628 FFj4B=1.2209 FFj4b=8.231 FFj4C=0.6637 FFj4c=3.836 FFj4D=0.0443 FFj4d=1.514 FFj4E=0.0015 0.0088 Re_6s25d5 FFj4A=1.6402 FFj4a=40.319 FFj4B=1.3192 FFj4b=7.064 FFj4C=0.8659 FFj4c=2.901 FFj4D=0.4299 FFj4d=2.306 FFj4E=0.0013 0.0098 Re1p_6s05d6 FFj4A=1.7723 FFj4a=40.683 FFj4B=1.2795 FFj4b=7.798 FFj4C=0.6385 FFj4c=3.630 FFj4D=0.0656 FFj4d=1.686 FFj4E=0.0015 0.0084 Re1p_6s15d5 FFj4A=1.6968 FFj4a=34.939 FFj4B=1.3535 FFj4b=6.851 FFj4C=1.7292 FFj4c=2.681 FFj4D=1.3118 FFj4d=2.445 FFj4E=0.0014 0.0084 Re2p_6s05d5 FFj4A=1.7305 FFj4a=30.305 FFj4B=1.3808 FFj4b=6.606 FFj4C=1.5787 FFj4c=2.630 FFj4D=1.1785 FFj4d=2.378 FFj4E=0.0015 0.0079 Re3p_6s05d4 FFj4A=1.6969 FFj4a=24.325 FFj4B=1.4088 FFj4b=5.901 FFj4C=1.5067 FFj4c=2.424 FFj4D=1.1834 FFj4d=2.209 FFj4E=0.0019 0.0069 Re4p_6s05d3 FFj4A=1.6679 FFj4a=20.454 FFj4B=1.4439 FFj4b=5.357 FFj4C=0.8175 FFj4c=2.321 FFj4D=0.5685 FFj4d=1.976 FFj4E=0.0024 0.0056 Re5p_6s05d2 FFj4A=1.6427 FFj4a=17.722 FFj4B=1.4880 FFj4b=4.916 FFj4C=0.5419 FFj4c=2.189 FFj4D=0.3694 FFj4d=1.781 FFj4E=0.0029 0.0050 Re6p_6s05d1 FFj4A=1.6211 FFj4a=15.673 FFj4B=1.5419 FFj4b=4.548 FFj4C=1.9205 FFj4c=1.833 FFj4D=1.8287 FFj4d=1.766 FFj4E=0.0034 0.0055 Os_6s05d8 FFj4A=1.5677 FFj4a=53.075 FFj4B=1.0631 FFj4b=8.143 FFj4C=0.6808 FFj4c=3.771 FFj4D=0.0308 FFj4d=1.243 FFj4E=0.0017 0.0095 Os_6s15d7 FFj4A=1.5109 FFj4a=42.193 FFj4B=1.1910 FFj4b=6.850 FFj4C=2.4597 FFj4c=2.602 FFj4D=2.0163 FFj4d=2.444 FFj4E=0.0011 0.0100 Os_6s25d6 FFj4A=1.4734 FFj4a=34.814 FFj4B=1.2105 FFj4b=6.165 FFj4C=0.9468 FFj4c=2.534 FFj4D=0.5773 FFj4d=2.131 FFj4E=0.0015 0.0108 Os1p_6s05d7 FFj4A=1.5777 FFj4a=35.746 FFj4B=1.2222 FFj4b=6.650 FFj4C=1.7260 FFj4c=2.590 FFj4D=1.2942 FFj4d=2.360 FFj4E=0.0012 0.0081 Os1p_6s15d6 FFj4A=1.5274 FFj4a=30.891 FFj4B=1.2364 FFj4b=6.044 FFj4C=1.4100 FFj4c=2.431 FFj4D=1.0480 FFj4d=2.188 FFj4E=0.0016 0.0086 Os2p_6s05d6 FFj4A=1.5637 FFj4a=27.292 FFj4B=1.2627 FFj4b=5.880 FFj4C=1.3526 FFj4c=2.393 FFj4D=1.0026 FFj4d=2.146 FFj4E=0.0017 0.0071 Os3p_6s05d5 FFj4A=1.5453 FFj4a=22.300 FFj4B=1.3058 FFj4b=5.301 FFj4C=0.7208 FFj4c=2.294 FFj4D=0.4480 FFj4d=1.881 FFj4E=0.0022 0.0071 Os4p_6s05d4 FFj4A=1.5267 FFj4a=18.972 FFj4B=1.3619 FFj4b=4.834 FFj4C=3.0121 FFj4c=1.938 FFj4D=2.8240 FFj4d=1.877 FFj4E=0.0027 0.0091 Os5p_6s05d3 FFj4A=1.5094 FFj4a=16.573 FFj4B=1.4158 FFj4b=4.458 FFj4C=0.8448 FFj4c=1.797 FFj4D=0.7349 FFj4d=1.638 FFj4E=0.0033 0.0058 Os6p_6s05d2 FFj4A=1.4938 FFj4a=14.751 FFj4B=1.4678 FFj4b=4.149 FFj4C=0.8091 FFj4c=1.535 FFj4D=0.7720 FFj4d=1.442 FFj4E=0.0041 0.0048 Os7p_6s05d1 FFj4A=0.0341 FFj4a=37.994 FFj4B=1.4680 FFj4b=13.159 FFj4C=1.5216 FFj4c=3.898 FFj4D=0.0308 FFj4d=0.550 FFj4E=0.0083 0.0044 Ir_6s05d9 FFj4A=1.3913 FFj4a=45.243 FFj4B=1.0627 FFj4b=6.722 FFj4C=2.5141 FFj4c=2.534 FFj4D=2.0510 FFj4d=2.383 FFj4E=0.0009 0.0099 Ir_6s15d8 FFj4A=1.3605 FFj4a=36.399 FFj4B=1.0953 FFj4b=5.990 FFj4C=1.7223 FFj4c=2.353 FFj4D=1.3416 FFj4d=2.162 FFj4E=0.0014 0.0111 Ir_6s25d7 FFj4A=1.3382 FFj4a=30.628 FFj4B=1.1376 FFj4b=5.420 FFj4C=1.4261 FFj4c=2.160 FFj4D=1.1282 FFj4d=1.974 FFj4E=0.0019 0.0115 Ir1p_6s05d8 FFj4A=1.4233 FFj4a=31.680 FFj4B=1.1221 FFj4b=5.872 FFj4C=2.2721 FFj4c=2.301 FFj4D=1.8973 FFj4d=2.163 FFj4E=0.0015 0.0108 Ir1p_6s15d7 FFj4A=1.3875 FFj4a=27.660 FFj4B=1.1508 FFj4b=5.362 FFj4C=0.6586 FFj4c=2.302 FFj4D=0.3554 FFj4d=1.810 FFj4E=0.0020 0.0094 Ir2p_6s05d7 FFj4A=1.4233 FFj4a=24.796 FFj4B=1.1799 FFj4b=5.246 FFj4C=3.2548 FFj4c=2.072 FFj4D=2.9649 FFj4d=1.997 FFj4E=0.0020 0.0099 Ir3p_6s05d6 FFj4A=1.4149 FFj4a=20.563 FFj4B=1.2388 FFj4b=4.761 FFj4C=1.1780 FFj4c=1.928 FFj4D=0.9708 FFj4d=1.761 FFj4E=0.0026 0.0071 Ir4p_6s05d5 FFj4A=1.4039 FFj4a=17.664 FFj4B=1.2993 FFj4b=4.371 FFj4C=3.5599 FFj4c=1.661 FFj4D=3.4340 FFj4d=1.625 FFj4E=0.0033 0.0065 Ir5p_6s05d4 FFj4A=1.3927 FFj4a=15.539 FFj4B=1.3536 FFj4b=4.057 FFj4C=0.2946 FFj4c=1.554 FFj4D=0.2412 FFj4d=1.266 FFj4E=0.0043 0.0061 Ir6p_6s05d3 FFj4A=0.0364 FFj4a=41.929 FFj4B=1.3662 FFj4b=13.771 FFj4C=1.4130 FFj4c=3.784 FFj4D=0.0384 FFj4d=0.190 FFj4E=0.0241 0.0043 Pt1p_6s05d9 FFj4A=1.2955 FFj4a=28.407 FFj4B=1.0534 FFj4b=5.206 FFj4C=1.2452 FFj4c=2.096 FFj4D=0.9336 FFj4d=1.881 FFj4E=0.0018 0.0104 Pt2p_6s05d8 FFj4A=1.3038 FFj4a=22.692 FFj4B=1.1238 FFj4b=4.691 FFj4C=3.2444 FFj4c=1.814 FFj4D=3.0209 FFj4d=1.757 FFj4E=0.0025 0.0100 Pt3p_6s05d7 FFj4A=1.3019 FFj4a=19.052 FFj4B=1.1904 FFj4b=4.286 FFj4C=3.3886 FFj4c=1.592 FFj4D=3.2484 FFj4d=1.554 FFj4E=0.0034 0.0087 Pt4p_6s05d6 FFj4A=1.2964 FFj4a=16.503 FFj4B=1.2497 FFj4b=3.964 FFj4C=1.7648 FFj4c=1.350 FFj4D=1.6992 FFj4d=1.305 FFj4E=0.0046 0.0066 Pt5p_6s05d5 FFj4A=1.2902 FFj4a=14.600 FFj4B=1.2945 FFj4b=3.709 FFj4C=0.5190 FFj4c=1.033 FFj4D=0.5122 FFj4d=0.963 FFj4E=0.0067 0.0054 Pt6p_6s05d4 FFj4A=0.0482 FFj4a=33.010 FFj4B=1.2661 FFj4b=12.839 FFj4C=1.3254 FFj4c=3.545 FFj4D=0.0455 FFj4d=0.144 FFj4E=0.0315 0.0027 Au1p_6s15d9 FFj4A=1.1686 FFj4a=22.808 FFj4B=1.0729 FFj4b=4.243 FFj4C=0.9462 FFj4c=1.573 FFj4D=0.7943 FFj4d=1.428 FFj4E=0.0036 0.0104 Au2p_6s05d9 FFj4A=1.2005 FFj4a=20.888 FFj4B=1.0879 FFj4b=4.203 FFj4C=0.8896 FFj4c=1.584 FFj4D=0.7371 FFj4d=1.428 FFj4E=0.0036 0.0109 Au3p_6s05d8 FFj4A=1.2033 FFj4a=17.722 FFj4B=1.1507 FFj4b=3.874 FFj4C=0.2426 FFj4c=1.455 FFj4D=0.1649 FFj4d=1.049 FFj4E=0.0053 0.0080 Au4p_6s05d7 FFj4A=1.2021 FFj4a=15.459 FFj4B=1.2003 FFj4b=3.615 FFj4C=0.6189 FFj4c=0.952 FFj4D=0.6028 FFj4d=0.886 FFj4E=0.0081 0.0074 Au5p_6s05d6 FFj4A=1.2007 FFj4a=13.734 FFj4B=1.2262 FFj4b=3.424 FFj4C=0.5164 FFj4c=0.401 FFj4D=0.5461 FFj4d=0.379 FFj4E=0.0216 0.0060