Table 3. Parameterization of X-ray scattering factors of ions for the five Gaussians plus a constant model.
| a 1 | a 2 | a 3 | a 4 | a 5 | c | R scat † | |
|---|---|---|---|---|---|---|---|
| Ion | b 1 | b 2 | b 3 | b 4 | b 5 | (%) | |
| C+ | 8.431E-2 | 5.957E-1 | 1.145E+0 | 2.224E+0 | 9.528E-1 | −2.457E-3 | 0.0194 |
| 4.787E-2 | 2.273E-1 | 7.042E-1 | 1.328E+1 | 3.012E+1 | |||
| C− | 5.946E-1 | 1.229E+0 | 2.295E+0 | 2.257E+0 | 6.050E-1 | 1.642E-2 | 0.0516 |
| 1.840E-1 | 7.149E-1 | 1.408E+1 | 4.041E+1 | 1.463E+2 | |||
| N+ | 1.670E-1 | 6.515E-1 | 9.987E-1 | 2.749E+0 | 1.427E+0 | 5.943E-3 | 0.0228 |
| 6.426E-2 | 2.094E-1 | 5.482E-1 | 9.105E+0 | 2.215E+1 | |||
| N− | 6.423E-1 | 1.169E+0 | 2.685E+0 | 2.758E+0 | 7.215E-1 | 2.224E-2 | 0.0403 |
| 1.451E-1 | 5.304E-1 | 9.338E+0 | 2.664E+1 | 9.161E+1 | |||
| O+ | 6.042E-1 | 1.171E+0 | 2.398E+0 | 2.376E+0 | 4.253E-1 | 2.527E-2 | 0.0047 |
| 1.078E-1 | 3.764E-1 | 5.797E+0 | 1.247E+1 | 2.613E+1 | |||
| O− | 6.950E-1 | 1.102E+0 | 3.023E+0 | 3.287E+0 | 8.611E-1 | 2.919E-2 | 0.0367 |
| 1.195E-1 | 4.139E-1 | 6.546E+0 | 1.869E+1 | 6.309E+1 | |||
| P+ | 1.496E+0 | 1.992E+0 | 5.676E+0 | 3.739E+0 | 9.422E-1 | 1.546E-1 | 0.0107 |
| 7.120E-2 | 9.188E-1 | 1.987E+0 | 2.446E+1 | 5.304E+1 | |||
| P− | 1.505E+0 | 2.539E+0 | 5.185E+0 | 4.696E+0 | 1.909E+0 | 1.595E-1 | 0.0431 |
| 7.246E-2 | 1.008E+0 | 2.097E+0 | 3.061E+1 | 1.036E+2 | |||
| P2+ | 1.501E+0 | 2.253E+0 | 5.421E+0 | 3.145E+0 | 5.236E-1 | 1.563E-1 | 0.0084 |
| 7.155E-2 | 9.661E-1 | 2.041E+0 | 2.148E+1 | 4.363E+1 | |||
| S+ | 1.477E+0 | 1.268E+0 | 6.299E+0 | 4.788E+0 | 1.011E+0 | 1.569E-1 | 0.0155 |
| 6.175E-2 | 6.681E-1 | 1.521E+0 | 2.047E+1 | 4.613E+1 | |||
| S− | 1.483E+0 | 1.597E+0 | 6.016E+0 | 5.623E+0 | 2.114E+0 | 1.610E-1 | 0.0397 |
| 6.259E-2 | 7.320E-1 | 1.570E+0 | 2.419E+1 | 7.758E+1 | |||
| S2+ | 1.483E+0 | 1.520E+0 | 6.052E+0 | 4.257E+0 | 5.300E-1 | 1.594E-1 | 0.0131 |
| 6.220E-2 | 7.229E-1 | 1.558E+0 | 1.865E+1 | 4.092E+1 | |||
| S3+ | 1.489E+0 | 1.983E+0 | 5.618E+0 | 3.476E+0 | 2.716E-1 | 1.626E-1 | 0.0084 |
| 6.277E-2 | 8.002E-1 | 1.631E+0 | 1.656E+1 | 3.620E+1 |
†
Defined in equation (6). Calculated between the scattering factors and the fitted curves. Summation over data from sinθ/λ = 0 to 6 Å−1.