Premium
Quantitative phase analysis using the Rietveld method
Author(s) -
Bish D. L.,
Howard S. A.
Publication year - 1988
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889887009415
Subject(s) - calibration , diffraction , orientation (vector space) , internal standard , phase (matter) , rietveld refinement , powder diffraction , quantitative analysis (chemistry) , amorphous solid , materials science , analytical chemistry (journal) , x ray crystallography , chemistry , crystallography , mathematics , optics , statistics , chromatography , physics , mass spectrometry , geometry , organic chemistry
Quantitative phase analysis of multicomponent mixtures using X‐ray powder diffraction data has been approached with a modified version of the Rietveld computer program of Wiles & Young [ J. Appl. Cryst. (1981), 14 , 149–151]. This new method does not require measurement of calibration data nor the use of an internal standard; however, the approximate crystal structure of each phase of interest in a mixture is necessary. The use of an internal standard will allow the determination of total amorphous phase content in a mixture. Analysis of synthetic mixtures yielded high‐precision results, with errors generally less than 1.0% absolute. Since this technique fits the complete diffraction pattern, it is less susceptible to primary extinction effects and minor amounts of preferred orientation. Additional benefits of this technique over traditional quantitative analysis methods include the determination of precise cell parameters and approximate chemical compositions, and the potential for the correction of preferred orientation and microabsorption effects.