Table 2. Parameterization of X-ray scattering factors of ions for the four Gaussians plus a constant model.
a 1 | a 2 | a 3 | a 4 | c | R scat † | |
---|---|---|---|---|---|---|
Ion | b 1 | b 2 | b 3 | b 4 | (%) | |
C+ | 6.727E+0 | 1.439E+0 | 2.191E+0 | 9.913E-1 | −6.349E+0 | 0.0154 |
4.479E-3 | 6.231E-1 | 1.313E+1 | 2.971E+1 | |||
C− | 1.598E+0 | 2.161E+0 | 2.360E+0 | 6.549E-1 | 2.238E-1 | 0.0606 |
5.843E-1 | 1.346E+1 | 3.831E+1 | 1.405E+2 | |||
N+ | 1.570E+0 | 2.068E+0 | 1.847E+0 | 2.870E-1 | 2.271E-1 | 0.0025 |
4.122E-1 | 8.064E+0 | 1.665E+1 | 3.340E+1 | |||
N− | 1.569E+0 | 2.640E+0 | 2.795E+0 | 7.386E-1 | 2.551E-1 | 0.0394 |
4.393E-1 | 9.202E+0 | 2.624E+1 | 9.062E+1 | |||
O+ | 1.553E+0 | 2.237E+0 | 2.466E+0 | 5.079E-1 | 2.367E-1 | 0.0015 |
3.148E-1 | 5.618E+0 | 1.191E+1 | 2.504E+1 | |||
O− | 1.535E+0 | 3.038E+0 | 3.280E+0 | 8.555E-1 | 2.886E-1 | 0.0346 |
3.459E-1 | 6.556E+0 | 1.876E+1 | 6.328E+1 | |||
P+ | 1.732E+0 | 6.472E+0 | 3.698E+0 | 9.940E-1 | 1.105E+0 | 0.0065 |
5.089E-1 | 1.893E+0 | 2.424E+1 | 5.215E+1 | |||
P− | 1.990E+0 | 6.243E+0 | 4.686E+0 | 1.928E+0 | 1.146E+0 | 0.0423 |
5.903E-1 | 1.967E+0 | 3.046E+1 | 1.031E+2 | |||
P2+ | 1.825E+0 | 6.368E+0 | 3.076E+0 | 6.076E-1 | 1.124E+0 | 0.0046 |
5.431E-1 | 1.924E+0 | 2.114E+1 | 4.185E+1 | |||
S+ | 1.419E+0 | 6.923E+0 | 4.736E+0 | 1.076E+0 | 8.458E-1 | 0.0115 |
2.405E-1 | 1.459E+0 | 2.028E+1 | 4.519E+1 | |||
S− | 1.505E+0 | 6.721E+0 | 5.614E+0 | 2.130E+0 | 1.024E+0 | 0.0372 |
3.506E-1 | 1.507E+0 | 2.411E+1 | 7.728E+1 | |||
S2+ | 1.442E+0 | 6.787E+0 | 4.206E+0 | 5.939E-1 | 9.715E-1 | 0.0092 |
3.088E-1 | 1.488E+0 | 1.846E+1 | 3.950E+1 | |||
S3+ | 1.611E+0 | 6.550E+0 | 3.434E+0 | 3.284E-1 | 1.078E+0 | 0.0051 |
4.062E-1 | 1.543E+0 | 1.637E+1 | 3.422E+1 |
Defined in equation (6). Calculated between the scattering factors and the fitted curves. Summation over data from sinθ/λ = 0 to 2 Å−1.