# International Tables for Crystallography # Volume C # Mathematical, Physical and Chemical Tables # Edited by A.J.C. Wilson # Kluwer Academic Publishers # Dordrecht/Boston/London # 1992 # # Table 6.1.1.4 (pp. 500-502) # Coefficients for analytical approximation to the scattering factors # of Tables 6.1.1.1 and 6.1.1.3 # # [ Table 6.1.1.4 is a reprint of Table 2.2B, pp. 99-101, # International Tables for X-ray Crystallography, Volume IV, # The Kynoch Press: Birmingham, England, 1974. # There is just one difference, see "Tl3+". # ] # f0[k] = c + [SUM a_i*EXP(-b_i*(k^2)) ] #UD i=1,5 #UD a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 excl_vol H 0.493002 0.322912 0.140191 0.040810 0.0 0.003038 10.5109 26.1257 3.14236 57.7997 1.0 5.15 HE 0.489918 0.262003 0.196767 0.049879 0.0 0.001305 20.6593 7.74039 49.5519 2.20159 1.0 5.15 C 2.31000 1.02000 1.58860 0.865000 0.0 0.215600 20.8439 10.2075 0.568700 51.6512 1.0 16.44 N 12.2126 3.13220 2.01250 1.16630 0.0 -11.529 0.005700 9.89330 28.9975 0.582600 1.0 2.49 O 3.04850 2.28680 1.54630 0.867000 0.0 0.250800 13.2771 5.70110 0.323900 32.9089 1.0 9.13 NE 3.95530 3.11250 1.45460 1.12510 0.0 0.351500 8.40420 3.42620 0.230600 21.7184 1.0 9. NA 4.76260 3.17360 1.26740 1.11280 0.0 0.676000 3.28500 8.84220 0.313600 129.424 1.0 9. MG 5.42040 2.17350 1.22690 2.30730 0.0 0.858400 2.82750 79.2611 0.380800 7.19370 1.0 9. P 6.43450 4.17910 1.78000 1.49080 0.0 1.11490 1.90670 27.1570 0.526000 68.1645 1.0 5.73 S 6.90530 5.20340 1.43790 1.58630 0.0 0.866900 1.46790 22.2151 0.253600 56.1720 1.0 19.86 CL 18.2915 7.20840 6.53370 2.33860 0.0 -16.378 0.00660 1.1717 19.5424 60.4486 1.0 9. CA 15.6348 7.95180 8.43720 0.853700 0.0 -14.875 -0.00740 0.608900 10.3116 25.9905 1.0 9. FE 11.0424 7.37400 4.13460 0.439900 0.0 1.00970 4.65380 0.305300 12.0546 31.2809 1.0 9. CO 11.2296 7.38830 4.73930 0.71080 0.0 0.93240 4.12310 0.272600 10.2443 25.6466 1.0 9. ZN 11.9719 7.38620 6.46680 1.39400 0.0 0.780700 2.99460 0.203100 7.08260 18.0995 1.0 9. SE 17.0006 5.81960 3.97310 4.35430 0.0 2.84090 2.40980 0.272600 15.2372 43.8163 1.0 9. AU 16.8819 18.5913 25.5582 5.86000 0.0 12.0658 0.461100 8.62160 1.48260 36.3956 1.0 19.86