Electron atomic scattering factors and scattering potentials of crystals

The concepts of complex electron atomic scattering factors and principles for evaluating these factors are discussed and their applicability is examined. Numerical procedures and routines for calculating these factors are described, and for 98 neutron atoms and 109 ions the real part of the electron atomic scattering factors were parameterized using 10 and eight parameters, respectively. Procedures for constructing two and three dimensional scattering potentials using the complex atomic scattering factors are illustrated with examples; effects of thermal vibrations of the crystal lattice are discussed.