Journal of Applied Crystallography

Volume 34, Part 1 (February 2001)

research papers

J. Appl. Cryst. (2001). 34, 42-46 [ doi:10.1107/S002188980001582X ]

Multiple-data-set Rietveld analysis using isotopes in powder neutron diffraction. I. Accurate determination of the doping level in the ternary system Ni_xMg_1-xO, 0.005 < x < 0.1

P. F. Henry, M. T. Weller and C. C. Wilson

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 Ni_xMg_1-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.

Keywords: Rietveld analysis; neutron diffraction; isotopic doping.

Journal of Applied Crystallography

Volume 34, Part 1 (February 2001)

research papers

Multiple-data-set Rietveld analysis using isotopes in powder neutron diffraction. I. Accurate determination of the doping level in the ternary system NixMg1-xO, 0.005 < x < 0.1

P. F. Henry, M. T. Weller and C. C. Wilson

Multiple-data-set Rietveld analysis using isotopes in powder neutron diffraction. I. Accurate determination of the doping level in the ternary system Ni_xMg_1-xO, 0.005 < x < 0.1