Journal of Applied Crystallography

Volume 2, Part 2 (June 1969)


research papers



J. Appl. Cryst. (1969). 2, 65-71    [ doi:10.1107/S0021889869006558 ]

A profile refinement method for nuclear and magnetic structures

H. M. Rietveld

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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