Table 4. Parameterization of electron scattering factors of ions for the five Gaussians plus a charge term model.
| a 1 | a 2 | a 3 | a 4 | a 5 | R scat † | |
|---|---|---|---|---|---|---|
| Ion | b 1 | b 2 | b 3 | b 4 | b 5 | (%) |
| C+ | 2.079E-2 | 9.266E-2 | 2.949E-1 | 6.812E-1 | 3.304E-1 | 0.0156 |
| 5.950E-2 | 5.359E-1 | 2.760E+0 | 9.283E+0 | 2.442E+1 | ||
| C- | 2.248E-1 | 8.254E-1 | 1.769E+0 | 1.690E+0 | 6.994E-1 | 0.0810 |
| 5.518E-1 | 4.308E+0 | 1.600E+1 | 5.196E+1 | 1.708E+2 | ||
| N+ | 2.296E-2 | 1.004E-1 | 3.289E-1 | 6.546E-1 | 2.733E-1 | 0.0132 |
| 5.522E-2 | 4.910E-1 | 2.402E+0 | 7.751E+0 | 2.051E+1 | ||
| N− | 2.192E-1 | 7.256E-1 | 1.398E+0 | 1.245E+0 | 4.381E-1 | 0.0430 |
| 4.784E-1 | 3.389E+0 | 1.171E+1 | 3.604E+1 | 1.125E+2 | ||
| O+ | 2.439E-2 | 1.036E-1 | 3.360E-1 | 6.112E-1 | 2.447E-1 | 0.0120 |
| 5.082E-2 | 4.390E-1 | 2.036E+0 | 6.407E+0 | 1.710E+1 | ||
| O− | 2.236E-1 | 6.923E-1 | 1.176E+0 | 9.354E-1 | 2.821E-1 | 0.0218 |
| 4.372E-1 | 2.918E+0 | 9.670E+0 | 2.868E+1 | 8.489E+1 | ||
| P+ | 6.191E-2 | 3.154E-1 | 6.324E-1 | 1.661E+0 | 1.027E+0 | 0.0447 |
| 6.525E-2 | 6.224E-1 | 3.009E+0 | 1.258E+1 | 3.411E+1 | ||
| P− | 4.590E-1 | 1.002E+0 | 2.724E+0 | 3.228E+0 | 1.336E+0 | 0.0728 |
| 5.019E-1 | 3.545E+0 | 1.445E+1 | 4.313E+1 | 1.303E+2 | ||
| P2+ | 4.997E-2 | 2.497E-1 | 4.690E-1 | 1.099E+0 | 6.144E-1 | 0.0233 |
| 5.712E-2 | 5.372E-1 | 2.398E+0 | 1.051E+1 | 2.704E+1 | ||
| S+ | 6.232E-2 | 3.129E-1 | 6.541E-1 | 1.742E+0 | 9.377E-1 | 0.0391 |
| 6.149E-2 | 5.785E-1 | 2.848E+0 | 1.107E+1 | 2.978E+1 | ||
| S− | 4.496E-1 | 9.810E-1 | 2.598E+0 | 2.717E+0 | 8.614E-1 | 0.0543 |
| 4.656E-1 | 3.259E+0 | 1.233E+1 | 3.583E+1 | 1.055E+2 | ||
| S2+ | 5.029E-2 | 2.440E-1 | 4.671E-1 | 1.196E+0 | 7.100E-1 | 0.0230 |
| 5.364E-2 | 4.908E-1 | 2.186E+0 | 8.911E+0 | 2.266E+1 | ||
| S3+ | 3.991E-2 | 1.787E-1 | 3.465E-1 | 7.425E-1 | 5.600E-1 | 0.0124 |
| 4.652E-2 | 4.001E-1 | 1.626E+0 | 6.936E+0 | 1.724E+1 |
†
Defined in equation (6). Calculated between the scattering factors and the fitted curves. Summation over data from sinθ/λ = 0.04 to 6 Å−1 for the positive ions and from 0.04 to 1.5 Å−1 for the negative ions.