Parametric Rietveld refinement

Automated parametric Rietveld refinement and its application to two- dimensional X-ray powder diffraction experiments

Parametric Rietveld refinement of coexisting disordered clay minerals

X-ray diffraction is one of the most effective tools for the characterization of the stacking defects which occur frequently in clayminerals.Modelling of the diffraction patterns of oriented mounts is often used for obtaining structural information about the nature of stacking order. Manual matching of calculated and observed patterns is time consuming and the results are user dependent and esp...

Symmetry mode based parametric Rietveld refinement of the structural phase transition of CuInSe2

Symmetry modes provide an alternative method to describe crystal structures. Using the fact that many crystal structures can be described as a distorted version of a higher symmetric parent structure, the traditional atomic positions, occupancies or lattice parameters are no longer used. Instead, all structural features are described applying symmetry modes. This can be of particular interest i...

Morphological and Crystallographic Characterization of Nanoparticles by Granulometry Image Analysis and Rietveld Refinement Methods

The particle size distribution of the resultant cobalt ferrite samples was determined from Scanning Electron Microscopy (SEM) images using the granulometry image analysis method. Results showed the nanosized particles of the samples. The X-Ray Diffraction (XRD) patterns of samples were also analyzed by Rietveld refinement method. The results indicated that the precipitated sample at 95 <sup...

SrRietveld: a program for automating Rietveld refinements for high-throughput powder diffraction studies

SrRietveld is a highly automated software toolkit for Rietveld refinement. Compared to traditional refinement programs, it is more efficient to use and easier to learn. It is designed for modern high-throughput diffractometers and is capable of processing large numbers of data sets with minimal effort. The software currently uses conventional Rietveld refinement engines, automating GSAS and Ful...