Multiple-data-set Rietveld analysis using isotopes in powder neutron diffraction. I. Accurate determination of the doping level in the ternary system Ni?Mg1??O, 0.005 <? <0.1

Henry, Paul F., Weller, Mark T. and Wilson, Chick C. (2001) Multiple-data-set Rietveld analysis using isotopes in powder neutron diffraction. I. Accurate determination of the doping level in the ternary system Ni?Mg1??O, 0.005 <? <0.1. Journal of Applied Crystallography, 34 (1), 42-46. (doi:10.1107/S002188980001582X).

Record type: Article

Abstract

The use of isotopes to extract precise and very accurate structural information in complex Rietveld analysis has been demonstrated by comparison of results obtained for single-data-set analysis with those from multiple-data-set single-crystallographic-model analysis of NixMg1-xO doped with various nickel isotopes. Fractional occupancies of dopants can be accurately determined down to at least the 0.5% doping level, which cannot be obtained through single-sample-data-set refinements because of correlation effects, even when a large contrast exists between the nickel isotope used and magnesium.

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