I'm changing Fe ions for Sm ions in the cobalt ferrite structure, and I need to make an adjustment considering this exchange in Maud refinement.
Suzana Araújo Barbosa
Oi Rafa, uma forma é mudando a "ocupância" dos íons. Qualquer cosa entra em contato!
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Andreas Leineweber
Wishful thinking? If it concerns Fe3+ and Sm3+, the ionic radii are quite different....
If it would be a 1:1 substitution, than the occupancies should be coupled in the ratios 1-occ and occ, where occ should be the occupancy of Sm3+ on the site under consideration, while typically constraining the fractional coordinates and atomic displancement parameters to be equal. Note that you use the proper conventions for quantifying occupancies, which are diffent for the different Rietveld programs around.
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