Skip to main content Accessibility help
×
Home

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

  • Deane K. Smith (a1)

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.

Copyright

References

Hide All
Alexander, L. E., and Klug, H. P. (1948). Anal. Chem. ANCHAM 20, 886894. anc, ANCHAM
Bish, D. L., and Howard, S. A. (1988). J. Appl. Crystallogr. JACGAR 21, 8691. acr, JACGAR
Chung, F. H. (1974a). J. Appl. Crystallogr. JACGAR 7, 519525. acr, JACGAR
Chung, F. H. (1974b). J. Appl. Crystallogr. JACGAR 7, 526531. acr, JACGAR
Chung, F. H. (1975). J. Appl. Crystallogr. JACGAR 8, 1719. acr, JACGAR
Copeland, L. E., and Bragg, R. H. (1958). Anal. Chem. ANCHAM 30, 196206. anc, ANCHAM
deWolff, P. M. (1958). “Particle Statistics in X-ray diffractometry,” Adv. Chem. Phys. ADCPAA 7, 102122. adc, ADCPAA
Hill, R. J., and Howard, C. J. (1987). J. Appl. Crystallogr. JACGAR 20, 467474. acr, JACGAR
Howard, S. A., and Smith, D. K. (1990). Denver X-ray Conference, Steamboat, CO (unpublished).
Hubbard, C. R., Evans, E. H., and Smith, D. K. (1976). J. Appl. Crystallogr. JACGAR 9, 169174. acr, JACGAR
Hubbard, C. R., and Snyder, R. L. (1988). Powder Diffr. PODIE2 3, 7478. pdj, PODIE2
Hull, A. W. (1919). J. Am. Chem. Soc. JACSAT 41, 11681175. acs, JACSAT
Karlak, R. F., and Burnett, D. S. (1966). Anal. Chem. ANCHAM 38, 17411745. anc, ANCHAM
Leroux, J., Lennox, D. H., and Kay, K. (1953). Anal. Chem. ANCHAM 25, 740748. anc, ANCHAM
PDF (1991). Powder Diffraction File 1–41, edited by W. F. McClune, International Centre for Diffraction Data, Swarthmore, PA.
Smith, D. K., and Gorter, S. (1991). J. Appl. Crystallogr. JACGAR 24, 369402. acr, JACGAR
Smith, D. K., Johnson, G. G. Jr, Kelton, M. J., and Anderson, C. A. (1989). Adv. X-Ray Anal. AXRAAA 32, 489496. axr, AXRAAA
Smith, D. K., Johnson, G. G. Jr, Scheible, A., Wims, A. M., Johnson, J. L., and Ullmann, G. (1987). Powder Diffr. PODIE2 2, 7377. pdj, PODIE2
Smith, D. K., Johnson, G. G. Jr, and Wims, A. M. (1988). Aust. J. Phys. AUJPAS 41, 311321. auj, AUJPAS
Smith, D. K., Johnson, G. G. Jr, and Hoyle, S. Q. (1991). Adv. X-Ray Anal. AXRAAA 34, 377385. axr, AXRAAA
Snyder, R. L. (1991). Proceedings of the Conference on Applied Crystallography, Prague, Czechoslovakia, Czechoslovakian Academy of Sciences.
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.
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.
Visser, J. W., and deWolff, P. M. (1964). “Absolute intensities,” Report No. 641.109, Technisch Physische Dienst, Delft, Netherlands. Reprinted Powder Diffr. ZZZZZZ 3, 202204.

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

  • Deane K. Smith (a1)

Metrics

Full text views

Total number of HTML views: 0
Total number of PDF views: 0 *
Loading metrics...

Abstract views

Total abstract views: 0 *
Loading metrics...

* Views captured on Cambridge Core between <date>. This data will be updated every 24 hours.

Usage data cannot currently be displayed