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Profile Fitting for Quantitative Analysis in X-Ray Powder Diffraction

Published online by Cambridge University Press:  06 March 2019

Walter N. Schreiner  and
Ron Jenkins
Walter N. Schreiner
Affiliation:
Philips Laboratories, Briarcliff Manor, NY 10510
Ron Jenkins
Affiliation:
Philips Electronic Instruments, Mahwah, NJ 07430
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Quantitative phase analysis by powder diffractometry requires accurate measurement of the integrated intensities of the diffracted, lines. When lines are isolated and on simple backgrounds, count integration techniques work very well. However, when one or more lines overlap the line of interest, or a complex background is present, profile fitting techniques are required in order to eliminate interferences.

Profile fitting involves choosing a mathematical model to represent the expected profile shapes. Experience has shown that the profile shapes obtained with a parafocusing powder diffractometer are not easily described and many models have been tried with varying degrees of success. Generally the more free parameters allowed In the model the ‘setter the fits, although, aesthetically one would like to keep the number of free parameters to a minimum.

Type
III. Quantitative XRD Analysis
Information
Advances in X-Ray Analysis , Volume 26: Thirty-First Annual Conference on Applications of X-ray Analysis, August 1-6, 1982 , 1982 , pp. 141 - 147
Copyright
Copyright © International Centre for Diffraction Data 1982

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References

[1] Hall, M. M. Jr, Veeraragharan, V. G., Rubin, H., Winchell, P. G., J. Appl. Cryst., Vol 10, 66–88 (1977)Google Scholar
[2] Parrish, W., Huang, T. C., Ayers, G. L., Trans. Am. Cryst. Assoc., Vol 12, (1976).Google Scholar