Effect of layer type distribution within the crystallite on the diffracted (00ℓ) theoretical intensities

Abstract

The XRD-pattern modelling, in the case of layered materials, provides an accurate structural characterization on the layer’s composition and the interlamellar space configuration. The layer type distribution, within the crystallite, is a key parameter and is considered as stacking defects affecting the researched best agreement between theoretical and experimental XRD profiles. This work investigates the effect of layer distribution type (mathematical functions) on the diffracted XRD theoretical intensity to optimize the final adopted model in the case of montmorillonite SWy-Na exchanged Barium. Obtained results showed that several distributions can be approved to carry out the 00ℓ reflection modelling.