X-ray powder diffraction line profiles by Fourier synthesis

This work presents a new method of synthesizing the reflection profile, based on the calculation of Fourier coefficients of instrumental functions. The classification and construction of Fourier coefficients are effected, in a general way, from the analysis of the possible paths of beams in the diffractometer. Relationships were obtained which made it possible to synthesize the line profiles in different experimental conditions. The possibility of calculating the reflection profiles of a standard (annealed BaF₂) without introducing varying profile parameters is shown. Better results in describing the reflection profiles have been obtained than by applying the Pearson VII function with varying profile parameters.