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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

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
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
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.
complex, ti, zn
0021-8898
42-46
Henry, Paul F.
6ab0d6ca-bb2c-4286-9fad-1a5894dd8b75
Weller, Mark T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Wilson, Chick C.
4b5044d0-fb05-4d70-92b1-d12387c593a1
Henry, Paul F.
6ab0d6ca-bb2c-4286-9fad-1a5894dd8b75
Weller, Mark T.
36a60b56-049f-466c-a1d7-39d6b0d85ff4
Wilson, Chick C.
4b5044d0-fb05-4d70-92b1-d12387c593a1

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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More information

Published date: 1 February 2001
Keywords: complex, ti, zn

Identifiers

Local EPrints ID: 19520
URI: http://eprints.soton.ac.uk/id/eprint/19520
ISSN: 0021-8898
PURE UUID: 0b4b44ae-e8b9-4284-9041-acf0a4094306

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Date deposited: 16 Feb 2006
Last modified: 15 Jul 2019 19:27

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