Rietveld refinement of diffraction data for crystalline materials

Rietveld refinement is a technique for the characterisation of crystalline materials, using their neutron and x-ray diffraction patterns (diffractograms). The analysis of the height, width and position of the measured reflections, and corresponding intensity peaks, are used to determine the material’s structure (crystallinity, crystallite shape, density, unit cell dimensions, atomic coordinates and bonds lengths and angles) and reconstruct its unit cell. Other parameters that can be modelled are micro strain in crystal lattice, texture, and vacancies.

The Rietveld method is a powerful technique, with diverse applications and experimental options in the fields of materials, nanomaterials and advanced materials.

Data Processing & Analysis, Data Visualisation & Predictive Toxicity
Modelling tool
Read-across, Information extraction, Identifier mapping, Physicochemical characterisation of nanomaterials
Targeted industry:
Nanotechnology, Chemicals
Targeted users:
Researchers, Students, Risk assessors, Data modellers
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University of Birmingham
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