Hostname: page-component-586b7cd67f-2brh9 Total loading time: 0 Render date: 2024-11-23T12:57:17.606Z Has data issue: false hasContentIssue false
  • English
  • Français

Particle Statistics and Whole-Pattern Methods in Quantitative X-Ray Powder Diffraction Analysis

Published online by Cambridge University Press:  06 March 2019

Deane K. Smith
Deane K. Smith*
Affiliation:
Department of Geosciences Materials Research Laboratory The Pennsylvania State University University Park, PA 16802, USA
Get access

Abstract

Modern powder diffraction employing computer-controlled diffractometers now allows quantitative analytical methods to use the whole diffraction trace rather then 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 patternfitting 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.

Type
I. Whole Pattern Fitting, Rietveld Analysis and Calculated Diffraction Patterns
Information
Advances in X-Ray Analysis , Volume 35 , Issue A: First Pacific-International Congress on X-ray Analytical Methods (PICXAM). Fortieth Annual Conference on Applications of X-ray Analysis, August 7-16, 1991 , 1991 , pp. 1 - 15
Copyright
Copyright © International Centre for Diffraction Data 1991

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

Alexander, L.E. and Klug, H.P. (1948) Anal. Chem. 20, 886–894.Google Scholar
Bish, D.L. and Howard, S.A. (1988) J. Appl. Cryst. 21, 86–91.Google Scholar
Copeland, L.E. and Bragg, R.H. (1958) Anal. Chem. 30, 196–206.Google Scholar
Chung, F.H. (1974a) J. Appl. Cryst. 7, 519–525.Google Scholar
Chung, F.H. (1974b) J. Appl. Cryst. 7, 526–531.Google Scholar
Chung, F.H. (1975) J. Appl. Cryst. 8, 17–19.Google Scholar
Hill, R.J. and Howard, C.J. (1987) J. Appl. cryst. 20, 467–474.Google 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 CO, (unpublished).Google Scholar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 Sraith, D.K. (1976) J. Appl. Cryst. 9, 169–174.Google Scholar
Hubbard, C.R. and Snyder, R.L. (1938) Powd. Diff. 3, 74–78.Google Scholar
Hull, A.W. (1919) J. Am. Chem. Soc. 41, 1168–1175.Google Scholar
Karlak, R.F. and Burnett, D.S. (1966) Anal. Chem. 38, 1741–1745.Google Scholar
Leroux, J., Lennox, D.H. and Kay, K. (1953) Anal. Chem. 25. 740–748.Google Scholar
PDF (1991) Powder Diffraction File 1 - 41, W. F. McClune, Eds., International Centre for Diffraction Data, Swathmore, PA.Google Scholar
Smith, D.K. , Johnson, G.G. Jr., Scheible, A., Wims, A.M. , Johnson, J.L. and Ullmann, G. (1987) Powd. Diff. 2, 73–77.Google Scholar
Smith, D.K., Johnson, G.G. Jr., and wims, A.M. (1988) Aust. J. Phys. 41, 311–321.Google Scholar
Smith, D.K., Johnson, G.G. Jr., Kelton, M.J. and Anderson, C.A. (1989) Adv. X-ray Anal. 22, 489–496.Google Scholar
Smith, D.K., Johnson, G.G. Jr. and Hoyle, S.Q. (1991) Adv. X-ray Anal. 34, 377–385.Google Scholar
Smith, D.K. and Gorter, S. (1991) J. Appl. Cryst. 369-402.Google Scholar
Snyder, (1991) Proceedings of the Conference on Applied Crystallography. Prague, Czechoslovakia, Czechoslovakian Academy of Sciences.Google Scholar
Snyder, R.L. and Hubbard, C.R. (1984) NBS*QUANT84: A system for quantitative analysis by automated X-ray powder diffraction. NBS Special Publication, Washington, DC.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
Visser, J.W. and deWolff, P.M. (1964) Absolute intensities. Report 641.109, Technisch Physische Dienst, Delft, Netherlands. Reprinted Powd. Diff. 3, 202–204.Google Scholar
deWolff, P. M. (1958) Particle Statistics in X-ray Diffractometry. Appl. Sci. Res. 7, 102–122.Google Scholar