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Applications of Neutron Powder Diffraction$
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Erich H. Kisi and Christopher J. Howard

Print publication date: 2008

Print ISBN-13: 9780198515944

Published to Oxford Scholarship Online: January 2009

DOI: 10.1093/acprof:oso/9780198515944.001.0001

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Quantitative phase analysis

Quantitative phase analysis

(p.284) 8 Quantitative phase analysis
Applications of Neutron Powder Diffraction

Erich H. Kisi

Christopher J. Howard

Oxford University Press

The intensities of the peaks in a powder diffraction pattern are shown to scale with the mass of contributing material. Thus, for a sample comprising several phases, the mass fractions of the different phases can be obtained, at least in principle, from the ratios of intensities of peaks from different phases. Individual peak methods, such as the polymorph method, are described. There is a particularly simple connection between the mass of a phase and the corresponding scale factor as obtained in a multiphase Rietveld method analysis, and this is finding increasing application in quantitative phase analysis. The relative merits of X-rays and neutrons for phase analysis, analysis with or without standards, and the estimation of errors, are discussed. Applications to magnesia-partially stabilised zirconia (Mg-PSZ) and studies of the synthesis in situ of Ti3SiC2 are described in detail.

Keywords:   multiphase samples, quantitative phase analysis, individual peak methods, polymorph method, Rietveld method, scale factor, standards, error estimation, Mg-PSZ, Ti3SiC2

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