A profile refinement method for nuclear and magnetic structures
1969/06/02 by H. M. Rietveld · 17,336 citations
Engineering · Materials Science · Mathematics · Physics and Astronomy · #Algorithm #Code (set theory) #Computational physics #Computer science #Diagram #Geometry #Materials science #Mathematics #Neutron #Nuclear Physics and Applications #Nuclear physics #Physics #Quadratic equation #Simple (philosophy) #Superconducting Materials and Applications #X-ray Diffraction in Crystallography
paper · doi:10.1107/s0021889869006558
published in Journal of Applied Crystallography 2(2), 65-71 (Wiley)
openalex publication_date 1969/06/02 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Abstract
A structure refinement method is described which does not use integrated neutron powder intensities, single or overlapping, but employs directly the profile intensities obtained from step-scanning measurements of the powder diagram. Nuclear as well as magnetic structures can be refined, the latter only when their magnetic unit cell is equal to, or a multiple of, the nuclear cell. The least-squares refinement procedure allows, with a simple code, the introduction of linear or quadratic constraints between the parameters.
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