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Quantitative Phase Analysis by X-ray Diffraction—Doping Methods and Applications

1
Croatian Academy of Sciences and Arts, 10000 Zagreb, Croatia
2
Department of Physics, Faculty of Science, University of Zagreb, 10000 Zagreb, Croatia
Crystals 2020, 10(1), 27; https://doi.org/10.3390/cryst10010027
Received: 16 December 2019 / Revised: 31 December 2019 / Accepted: 4 January 2020 / Published: 7 January 2020
(This article belongs to the Special Issue Crystal Structure Characterization by Powder Diffraction)
X-ray powder diffraction is an ideal technique for the quantitative analysis of a multiphase sample. The intensities of diffraction lines of a phase in a multiphase sample are proportional to the phase fraction and the quantitative analysis can be obtained if the correction for the absorption of X-rays in the sample is performed. Simple procedures of quantitative X-ray diffraction phase analysis of a multiphase sample are presented. The matrix-flushing method, with the application of reference intensities, yields the relationship between the intensity and phase fraction free from the absorption effect, thus, shunting calibration curves or internal standard procedures. Special attention is paid to the doping methods: (i) simultaneous determination of the fractions of several phases using a single doping and (ii) determination of the fraction of the dominant phase. The conditions to minimize systematic errors are discussed. The problem of overlapping of diffraction lines can be overcome by combining the doping method (i) and the individual profile fitting method, thus performing the quantitative phase analysis without the reference to structural models of particular phases. Recent suggestions in quantitative phase analysis are quoted, e.g., in study of the decomposition of supersaturated solid solutions—intermetallic alloys. Round Robin on Quantitative Phase Analysis, organized by the IUCr Commission on Powder Diffraction, is discussed shortly. The doping methods have been applied in various studies, e.g., phase transitions in titanium dioxide, biomineralization processes, and phases in intermetallic oxide systems and intermetallic alloys. View Full-Text
Keywords: X-ray powder diffraction; quantitative phase analysis; matrix-flushing method; doping method; Rietveld method; intermetallic alloys; intermetallic oxides; biominerals X-ray powder diffraction; quantitative phase analysis; matrix-flushing method; doping method; Rietveld method; intermetallic alloys; intermetallic oxides; biominerals
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Popović, S. Quantitative Phase Analysis by X-ray Diffraction—Doping Methods and Applications. Crystals 2020, 10, 27.

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