X-ray scattering factors for O2− and N3−

Abstract

Form factors calculated from several theoretical models show that the Xα method is accurate to about 1%. With the latter scheme and the Watson-sphere model the atomic form factors for O2- and N3- are computed for varying sphere radii. To a first approximation this radial variation accounts for the different environments of such ions. Deviations of up to 25% in the scattering factors occur when compared with the results obtained from the wave functions of the corresponding neutral atom.