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Particle statistics and whole-pattern methods in quantitative X-ray powder diffraction analysisa)

Published online by Cambridge University Press:  05 March 2012

Deane K. Smith
Deane K. Smith
Affiliation:
Department of Geosciences, Materials Research Laboratory, The Pennsylvania State University, University Park, Pennsylvania 16802
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Abstract

Modern powder diffraction employing computer-controlled diffractometers now allows quantitative analytical methods to use the whole diffraction trace rather than only individual peaks. Two such methods are in common use: the Rietveld method, which refines the crystal structures of the component phases as part of the matching calculation, and the pattern-fitting method, which uses reference patterns from a database. Potential accuracies of these methods seems to be around 1% absolute. The most severe limitation on the potential accuracy of these methods is particle statistics, which has been reviewed in considerable detail.

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Reprints
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Powder Diffraction , Volume 16 , Issue 4 , December 2001 , pp. 186 - 191
Copyright
Copyright © Cambridge University Press 2001

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References

Alexander, L. E., and Klug, H. P. (1948). Anal. Chem. ANCHAM 20, 886–894. anc, ANCHAM CrossRefGoogle Scholar
Bish, D. L., and Howard, S. A. (1988). J. Appl. Crystallogr. JACGAR 21, 86–91. acr, JACGAR CrossRefGoogle Scholar
Chung, F. H. (1974a). J. Appl. Crystallogr. JACGAR 7, 519–525. acr, JACGAR Google Scholar
Chung, F. H. (1974b). J. Appl. Crystallogr. JACGAR 7, 526–531. acr, JACGAR Google Scholar
Chung, F. H. (1975). J. Appl. Crystallogr. JACGAR 8, 17–19. acr, JACGAR Google Scholar
Copeland, L. E., and Bragg, R. H. (1958). Anal. Chem. ANCHAM 30, 196–206. anc, ANCHAM CrossRefGoogle Scholar
deWolff, P. M. (1958). “Particle Statistics in X-ray diffractometry,” Adv. Chem. Phys. ADCPAA 7, 102–122. adc, ADCPAA Google Scholar
Hill, R. J., and Howard, C. J. (1987). J. Appl. Crystallogr. JACGAR 20, 467–474. acr, JACGAR CrossRefGoogle Scholar
Howard, S. A., and Smith, D. K. (1990). Denver X-ray Conference, Steamboat, CO (unpublished).Google Scholar
Hubbard, C. R., Evans, E. H., and Smith, D. K. (1976). J. Appl. Crystallogr. JACGAR 9, 169–174. acr, JACGAR CrossRefGoogle Scholar
Hubbard, C. R., and Snyder, R. L. (1988). Powder Diffr. PODIE2 3, 74–78. pdj, PODIE2 CrossRefGoogle Scholar
Hull, A. W. (1919). J. Am. Chem. Soc. JACSAT 41, 1168–1175. acs, JACSAT Google Scholar
Karlak, R. F., and Burnett, D. S. (1966). Anal. Chem. ANCHAM 38, 1741–1745. anc, ANCHAM CrossRefGoogle Scholar
Leroux, J., Lennox, D. H., and Kay, K. (1953). Anal. Chem. ANCHAM 25, 740–748. anc, ANCHAM CrossRefGoogle Scholar
PDF (1991). Powder Diffraction File 1–41, edited by W. F. McClune, International Centre for Diffraction Data, Swarthmore, PA.Google Scholar
Smith, D. K., and Gorter, S. (1991). J. Appl. Crystallogr. JACGAR 24, 369–402. acr, JACGAR CrossRefGoogle Scholar
Smith, D. K., Johnson, G. G. Jr, Kelton, M. J., and Anderson, C. A. (1989). Adv. X-Ray Anal. AXRAAA 32, 489–496. axr, AXRAAA Google Scholar
Smith, D. K., Johnson, G. G. Jr, Scheible, A., Wims, A. M., Johnson, J. L., and Ullmann, G. (1987). Powder Diffr. PODIE2 2, 73–77. pdj, PODIE2 CrossRefGoogle Scholar
Smith, D. K., Johnson, G. G. Jr, and Wims, A. M. (1988). Aust. J. Phys. AUJPAS 41, 311–321. auj, AUJPAS CrossRefGoogle Scholar
Smith, D. K., Johnson, G. G. Jr, and Hoyle, S. Q. (1991). Adv. X-Ray Anal. AXRAAA 34, 377–385. axr, AXRAAA Google Scholar
Snyder, R. L. (1991). Proceedings of the Conference on Applied Crystallography, Prague, Czechoslovakia, Czechoslovakian Academy of Sciences.Google Scholar
Snyder, R. L., and Bish, D. L. (1987). “Quantitative Analysis”, in Modern Powder Diffraction, Bish, D. L. and Post, J. E., Eds., Mineralogical Society of America, Short Course Notes Vol. 20, Washington, DC.Google Scholar
Snyder, R. L., and Hubbard, C. R. (1984). “NBS*OUANT84: A system for quantitative analysis by automated X-ray powder diffraction,” NBS Special Publication, Washington, DC.Google Scholar
Visser, J. W., and deWolff, P. M. (1964). “Absolute intensities,” Report No. 641.109, Technisch Physische Dienst, Delft, Netherlands. Reprinted Powder Diffr. ZZZZZZ 3, 202–204.Google Scholar