Fundamentals of the Rietveld method

Introduction to the Rietveld method

In cooperation with Prof. Dr. R. Dinnebier from the Max Planck Institute for SolidState Research in Stuttgart, AJK Analytical Services organises a one day training on the Rietveld method.

The training is intended to serve X-ray diffraction users who need the Rietveld method for their analyses. Participants should obtain a better view on the possibilities and limitations of X-ray diffraction as a technique and of the Rietveld method in particular.

Purpose of the course

The Rietveld method was developed in the late 1960s, but became popular only with the advent of powerful and fast computers. Because the method requires complete diffraction patterns to be recorded the measurement times used to be one of the more important obstacles for using the Rietveld method. Today, however, with the high performance linear detectors the method can be used even in production control. On the other hand, using the method blindly and without the proper knowledge of its mathematical and physical foundations is dangerous. Therefore, AJK Analytical Services has initiated a cooperation with Prof. R. Dinnebier, an expert in the field, to setup a one day course on the Rietveld method.

This course is an introduction to the Rietveld method for the analysis of powder diffraction diagrams. Participants should obtain a working knowledge of the Rietveld method; its possibilities and limitations, as well as refinement strategies and pitfalls.

Requirements

The “Introduction to crystallography” course is recommended.

Topics:

• Data reduction
• Indexing, Space group determination
• Instrumental profile, profile fitting
• Whole powder pattern fitting (LeBail-, Pawley method)
• Structure determination
• Rietveld method
• Quantitative Analysis using the Rietveld method
• Verifying the reliability of your results
• The correllation matrix