2018 Volume 60 Issue 2-3 Pages 113-120
A new method, called the direct derivation（DD） method, for quantitative phase analysis（QPA） can derive weight fractions of individual crystalline phases from sets of observed intensities and chemical composition data. The Patterson function plays an important role in replacing the sum of squared structure factors, calculated in the Rietveld method, with the sum of squared numbers of electrons belonging to the atoms in the chemical formula unit. Therefore, the DD method can conduct QPA of Rietveld equivalent without referencing to structure parameters. It can be applied to QPA of mixtures containing known structure, unknown structure, and high and low crystalline materials.
