RT Journal Article
T1 Error analysis and correction for quantitative phase analysis based on Rietveld-internal method: Whether the minor phases can be ignored?
A1 Zhao, Piqi
A1 Lu, Lingchao
A1 Liu, Xianping
A1 Gómez-de-la-Torre, María de los  Ángeles
A1 Xin, Cheng
K1 Cemento
K1 Escoria
AB The Rietveld-internal standard method for Bragg-Brentano reflection geometry (q/2q) X-raydiffraction (XRD) patterns is implemented to determine the amorphous phase content. The effectof some minor phases on quantitative accuracy is assessed. The numerical simulation analysis oferrors and the related corrections are discussed. The results reveal that high purity of crystallinephases in the standard must be strictly ensured. The minor amorphous or non-quantified crystallinephases exert significant effect on the quantitative accuracy, even with less than 2 wt% if ignored.The error levels are evaluated by numerical simulation analysis and the corresponding error-acceptedzone is suggested. To eliminate such error, a corrected equation is proposed. When the addingstandard happens to be present in sample, it should be also carefully dealt with even in low amounts.Based on that ignorance, the absolute and relative error equations (DAE, DRE) are derived, as proposed.The conditions for high quantitative accuracy of original equation is strictly satisfied with a loweramount of standard phase present in sample, less than 2 wt%, and a higher dosage of internal standard,larger than 20 wt%. The corrected equation to eliminate such quantitative error is suggested.
PB MDPI
YR 2018
FD 2018-02
LK https://hdl.handle.net/10630/23611
UL https://hdl.handle.net/10630/23611
LA eng
NO Zhao, P.; Lu, L.; Liu, X.; De la Torre, A.G.; Cheng, X. Error Analysis and Correction for Quantitative Phase Analysis Based on Rietveld-Internal Standard Method: Whether the Minor Phases Can Be Ignored? Crystals 2018, 8, 110. https://doi.org/10.3390/cryst8030110
NO MINECO BIA2014-57658-C2-2-R
DS RIUMA. Repositorio Institucional de la Universidad de Málaga
RD 24 ene 2026