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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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H. M. Rietveld (Mon,) studied this question.
synapsesocial.com/papers/69d800eaf39344339dd18f0c — DOI: https://doi.org/10.1107/s0021889869006558
H. M. Rietveld
The University of Western Australia
Journal of Applied Crystallography
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