Quantitative phase analysis from neutron powder diffraction data using the Rietveld method

1987/12/01 by R. J. Hill, C. J. Howard · 28 citations
Materials Science · Chemistry · Physics and Astronomy · #X-ray Diffraction in Crystallography #Crystallography and molecular interactions #Nuclear Physics and Applications

paper · doi:10.1107/s0021889887086199

Abstract

The weight of a phase in a mixture is proportional to the product of the scale factor, as derived in a multi-component Rietveld analysis of the powder diffraction pattern, with the mass and volume of the unit cell. If all phases are identified and crystalline, the weight fraction W of phase p is given by W_p = S_p(ZMV)_p/∑_iS_i(ZMV)_i,where S, Z, M and V are, respectively, the Rietveld scale factor, the number of formula units per unit cell, the mass of the formula unit and the unit-cell volume. This is the basis of a method providing accurate phase analyses without the need for standards or for laborious experimental calibration procedures. The method is demonstrated by measurements on binary mixtures of rutile, corundum, silicon and quartz.

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