Does peak broadening hinder your Rietveld analysis? This study introduces a phenomenological model to address anisotropic line-shape broadening in powder diffraction patterns, a common obstacle in whole-pattern fitting. The authors develop a model of the multi-dimensional distribution of lattice metrics within a powder sample, naturally leading to a few parameters which can be varied to achieve optimal line-shape fits. Conditions on these parameters are derived for all crystal systems. The method is illustrated through examples using sodium p-hydroxybenzoate and rubidium fulleride. By implementing this model, researchers can achieve more accurate and reliable results in materials characterization.
As a contribution to Journal of Applied Crystallography, this paper addresses a practical challenge faced by researchers in the field. Anisotropic line-shape broadening directly impacts the accuracy of crystallographic analysis. By providing a model to improve line-shape fits, this research contributes to the advancement of crystallographic techniques, aligning with the journal's focus on innovative methods and instrumentation.