share/top/sfactor.dat

   1 ; Scattering factors for elements. Numbers taken from:
   2 ; http://www.ruppweb.org/xray/comp/scatfac.htm
   3 ; Underlying calculations due to D. T. Cromer & J. B. Mann
   4 ; X-ray scattering factors computed from numerical Hartree-Fock wave functions
   5 ; Acta Cryst. A 24 (1968) p. 321
   6 ;  Elem        a1        a2        a3        a4        b1        b2        b3        b4        c
   7  H    1     0.493     0.323      0.14     0.041    10.511    26.126     3.142      57.8     0.003
   8 He    2     0.873     0.631     0.311     0.178     9.104     3.357    22.928     0.982     0.006
   9 Li    3     1.128     0.751     0.618     0.465     3.955     1.052    85.391   168.261     0.038
  10 Be    4     1.592     1.128     0.539     0.703    43.643     1.862   103.483     0.542     0.038
  11  B    5     2.055     1.333     1.098     0.707    23.219     1.021     60.35      0.14    -0.193
  12  C    6      2.31      1.02     1.589     0.865    20.844    10.208     0.569    51.651     0.216
  13  N    7    12.213     3.132     2.013     1.166     0.006     9.893    28.997     0.583   -11.529
  14  O    8     3.049     2.287     1.546     0.867    13.277     5.701     0.324    32.909     0.251
  15  F    9     3.539     2.641     1.517     1.024    10.283     4.294     0.262    26.148     0.278
  16 Ne   10     3.955     3.112     1.455     1.125     8.404     3.426     0.231    21.718     0.352
  17 Na   11     4.763     3.174     1.267     1.113     3.285     8.842     0.314   129.424     0.676
  18 Mg   12      5.42     2.174     1.227     2.307     2.828    79.261     0.381     7.194     0.858
  19 Al   13      6.42       1.9     1.594     1.965     3.039     0.743    31.547    85.089     1.115
  20 Si   14     6.292     3.035     1.989     1.541     2.439    32.334     0.678    81.694     1.141
  21  P   15     6.435     4.179      1.78     1.491     1.907    27.157     0.526    68.164     1.115
  22  S   16     6.905     5.203     1.438     1.586     1.468    22.215     0.254    56.172     0.867
  23 Cl   17     11.46     7.196     6.256     1.645      0.01     1.166    18.519    47.778    -9.557
  24 Ar   18     7.484     6.772     0.654     1.644     0.907    14.841    43.898    33.393     1.444
  25  K   19     8.219      7.44     1.052     0.866    12.795     0.775   213.187    41.684     1.423
  26 Ca   20     8.627     7.387      1.59     1.021    10.442      0.66    85.748   178.437     1.375
  27 Se   34    17.001      5.82     3.973     4.354      2.41     0.273    15.237    43.816     2.841
  28 Br   35    17.179     5.236     5.638     3.985     2.172     16.58     0.261    41.433     2.956
  29 Kr   36    17.355     6.729     5.549     3.537     1.938    16.562     0.226    39.397     2.825
  30 Rb   37    17.178     9.644      5.14     1.529     1.789    17.315     0.275   164.934     3.487
  31  I   53    20.147    18.995     7.514     2.273     4.347     0.381    27.766    66.878     4.071
  32 Xe   54    20.293     19.03     8.977      1.99     3.928     0.344    26.466    64.266     3.712