Skip to main content Accessibility help

J. D. Hanawalt Powder Diffraction Award Lecture

  • L. K. Frevel (a1)


A condensed chronology of computer SEARCH/MATCH programs for the analysis of multiphase crystalline powders is presented covering the years 1965 to 1981. For this period the various algorithms for searching a data base of standard powder diffraction patterns, {ds, (I/I1)s}, are predicated on empirical “fingerprint” matching of the experimental powder data, {dν,Iν}, with one or more of the standard patterns. Within the past year an interactive computer SEARCH/MATCH program has been developed based on a structure-sensitive SEARCH procedure.

The evolution of computer SEARCH/MATCH procedures undoubtedly will continue and will be influenced by marked improvements in the quality of digitized, machine-readable, powder diffraction data. Three conjectures are offered on future developments in x-ray diffractometry.



Hide All
1. Frevel, L. K., Anal. Chem., 37, 471–2 (1965).
2. Nichols, M. C. and Bideaux, R. A., Twenty-fourth Pittsburgh Diffraction Conference, Pittsburgh, PA, Paper No. B-3 (1966).
3. Johnson, G. G., Jr. and Vand, V., Twenty-fourth Pittsburgh Diffraction Conference, Pittsburgh, PA, Paper No. B-l (1966).
4. Johnson, G. G., Jr. and Vand, V., Ind. Eng. Chem. 59, 1931 (1967).
5. Frevel, L. K., Adams, C. E. and Ruhberg, L. R., J. Appl. Cryst., 9, 199–2 (1976).
6. Edmonds, J. W. and Henslee, W. W., Adv. in X-ray Analysis, 22, 143–2 (1979).
7. Edmonds, J. W., J. Appl. Cryst., 13, 191–2 (1980).
8. Nichols, M. C. and Basinger, R. C., American Crystallographic Association Meeting, Berkeley, CA, Paper L10, March 2428 (1974).
9. Nichols, M. C., American Crystallographic Association Meeting, Charlottesville, Virginia, Paper Fll, March 913 (1975).
10. Johnson, G. G., Jr., “User Guide; Data Base and Search Program”, JCPDS, Swarthmore, PA (1974).
11. Hanawalt, J. D., Adv. In X-ray Analysis, 20, 6373 (1977).
12. Marquardt, R. G., Katsnelson, I., Milne, G. W. A., Heller, S. R., Johnson, G. G., Jr., and Jenkins, R., J. Appl. Cryst., 12, 38 (1979).
13. McCarthy, G. J., PDF Workbook, for Computer SEARCH/MATCH Methods, JCPDS, Swarthmore, PA (1981).
14. Huang, T. C., Parrish, W. and Post, B., American Crystallographic Association Meeting, National Bureau of Standards, Gaithersburg, Maryland, Paper M4, March 29-April 2 (1982).
15. Huang, T. C., Parrish, W. and Post, B., Adv. in S-ray Analysis, 26.
16. Powder Diffraction File of the Joint Committee on Powder Diffraction Standards, Sets 1-32, published by the International Centre for Diffraction Data, 1601 Park Lane, Swarthmore, PA 19081.
17. Frevel, L. K., Anal. Chem., 54, 691–2 (1982).
18. Donnay, J. D. H., Donnay, G., Cose, E. G., Kennard, O., and King, M. V., “Crystal Data Determination Tables,” 2nd Ed., ACA Monograph No. 5, American Crystallographic Association (1963).
19. Donnay, J. D. H., Ondik, K. M., Mighell, A. D., Mrose, M. E., Robbins, C. R., Stalik, J. K., Hansen, D. A., Wolten, G. M., and Boreni, R. J., “Crystal Data Determinative Tables,” 3rd Ed. Vol. 4 Inorganic Compounds, published jointly by the U.S. Department of Commerce, National Bureau of Standards and the JCPDS-International Centre for Diffraction Data (1978).
20. Frevel, L. K., EfeLeeuw, D. C. and Albe, W. R., Norelco Reporter Vol. 29, Number 2, 3839 (1982).
21. U.S. Patent 4, 247, 771 (1981).
22. Hamlin, R., “Proceedings of the Symposium on New Crystallographic Detectors,” Transactions of the American Crystallographic Association, Vol. 18, 95123 (1982).
23. Giessen, B. C. and Gordon, G. E., Science, 159, 973–2 (1968).
24. Fukamachi, T., Hosoya, S. and Terasaki, O., J. Appl. Cryst., 6, 117–2 (1973).
25. Hantler, M. and Parrish, W., Adv. in X-ray Analysis, 20, 171–2 (1977).
26. Wilson, A. J. C., J. Appl. Cryst., 6., 230–2 (1973).
27. Buras, B., National Bureau of Standards, Special Publication 567, Proceedings of Symposium on Accuracy in Powder Diffraction held at NBS, Gaithersburg, MD, June 11-15, 1979, pp. 3354 (1980).
28. Duane, W. and Hunt, F. L., Phys. Rev., 6, 166–2 (1915).
29. Frevel, L. K. and Roth, W. C., Anal. Chem., 54, 677–2, (1982).
30. Frevel, L. K., Anal. Chem., 38, 1914–20, (1966).


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