READ ME File for the Relativistic Scattering Factors

  1. Scattering factors are listed at an 0.05 A-1 interval in sin/ starting at 0.0. Valence scattering factors are normalized to one electron.

  2. For each atom the configuration is listed at the top of the table. In the relativistic calculations the p, d, and f orbitals are split with different values of the quantum number j. The orbital marked with a minus sign (such as d-) has the lower value of j. In the scattering factor tables the two parts (such as f(d-) and f(d)) have been averaged, as the differences in the scattering factor f are very small.



Reference: Z. Su and P. Coppens, Acta. Cryst. (1997) A53, 749-762.
Preparation of the table: C. Kim, I. Novozhilova, and P. Coppens.