2018
DOI: 10.3390/cryst8030110
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Error Analysis and Correction for Quantitative Phase Analysis Based on Rietveld-Internal Standard Method: Whether the Minor Phases Can Be Ignored?

Abstract: The Rietveld-internal standard method for Bragg-Brentano reflection geometry (θ/2θ) X-ray diffraction (XRD) patterns is implemented to determine the amorphous phase content. The effect of some minor phases on quantitative accuracy is assessed. The numerical simulation analysis of errors and the related corrections are discussed. The results reveal that high purity of crystalline phases in the standard must be strictly ensured. The minor amorphous or non-quantified crystalline phases exert significant effect on… Show more

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Cited by 36 publications
(15 citation statements)
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References 32 publications
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“…It should be noted that no Cu 2 O phase formation was recorded during the annealing of samples in the specified temperature range. The phase composition was determined using the Rietveld method, which is based on estimating the areas of diffraction peaks by approximating them and determining convergence with reference values for each phase [47,48]. In case of the predominance of amorphous structures such as the PET template, the phase composition is determined based on the most intense peak, which in our case is CuO (111) [49].…”
Section: Synthesis and Thermal Annealing Of Cu/pet Compositesmentioning
confidence: 99%
“…It should be noted that no Cu 2 O phase formation was recorded during the annealing of samples in the specified temperature range. The phase composition was determined using the Rietveld method, which is based on estimating the areas of diffraction peaks by approximating them and determining convergence with reference values for each phase [47,48]. In case of the predominance of amorphous structures such as the PET template, the phase composition is determined based on the most intense peak, which in our case is CuO (111) [49].…”
Section: Synthesis and Thermal Annealing Of Cu/pet Compositesmentioning
confidence: 99%
“…The amorphous and impurity crystal phases can play a substantial role in increasing the CTE of the sintered honeycomb because these phases have larger CTEs than the cordierite polymorphs. The amounts of these phases analyzed by the Rietveld‐internal standard method are represented in Figure . The refinement profile obtained by the Rietveld‐internal standard method with the six phases, that is, spinel, silimanite, cristobalite (a high‐temperature polymorph of silica), ZnO, and two cordierite polymorphs, is represented in Figure S5, Supporting Information.…”
Section: Resultsmentioning
confidence: 99%
“…Quantitative determination of amorphous phase was carried out by the Rietveld‐internal standard refinement method, which is the most widely used technique. ZnO powder was used as an internal standard material.…”
Section: Methodsmentioning
confidence: 99%
“…In contrast, mineral phases produced distinct peaks when analyzed with XRD, with the intensity of the peak depending on the amount of the mineral phase present. However, the broad and low-intensity peaks of the amorphous phases can hide low-intensity peaks of mineral phases present in a small amount [59]. Therefore, the presence of the amorphous phase in the Plombières samples may have resulted in some minor and trace mineral phases being missed.…”
Section: Mineralogy Of Plombières Materialsmentioning
confidence: 99%