Hostname: page-component-7b7567c8c-7pwfn Total loading time: 0 Render date: 2026-11-15T08:25:58.874Z Has data issue: false hasContentIssue false
  • English
  • Français

J. D. Hanawalt Powder Diffraction Award Lecture

Published online by Cambridge University Press:  06 March 2019

L. K. Frevel
L. K. Frevel*
Affiliation:
Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218
Get access

Abstract

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.

Information

Type
I. J. D. Hanawalt Award Session on Search/Match Methods
Information
Advances in X-Ray Analysis , Volume 27: Thirty-Second Annual Conference on Applications of X-ray Analysis, August 1-5, 1983 , 1983, pp. 3 - 18
Copyright
Copyright © International Centre for Diffraction Data 1983

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.)

Article purchase

Temporarily unavailable

References

1. Frevel, L. K., Anal. Chem., 37, 471–2 (1965).Google Scholar
2. Nichols, M. C. and Bideaux, R. A., Twenty-fourth Pittsburgh Diffraction Conference, Pittsburgh, PA, Paper No. B-3 (1966).Google Scholar
3. Johnson, G. G., Jr. and Vand, V., Twenty-fourth Pittsburgh Diffraction Conference, Pittsburgh, PA, Paper No. B-l (1966).Google Scholar
4. Johnson, G. G., Jr. and Vand, V., Ind. Eng. Chem. 59, 19–31 (1967).Google Scholar
5. Frevel, L. K., Adams, C. E. and Ruhberg, L. R., J. Appl. Cryst., 9, 199–2 (1976).Google Scholar
6. Edmonds, J. W. and Henslee, W. W., Adv. in X-ray Analysis, 22, 143–2 (1979).Google Scholar
7. Edmonds, J. W., J. Appl. Cryst., 13, 191–2 (1980).Google Scholar
8. Nichols, M. C. and Basinger, R. C., American Crystallographic Association Meeting, Berkeley, CA, Paper L10, March 24–28 (1974).Google Scholar
9. Nichols, M. C., American Crystallographic Association Meeting, Charlottesville, Virginia, Paper Fll, March 9–13 (1975).Google Scholar
10. Johnson, G. G., Jr., “User Guide; Data Base and Search Program”, JCPDS, Swarthmore, PA (1974).Google Scholar
11. Hanawalt, J. D., Adv. In X-ray Analysis, 20, 63–73 (1977).Google Scholar
12. Marquardt, R. G., Katsnelson, I., Milne, G. W. A., Heller, S. R., Johnson, G. G., Jr., and Jenkins, R., J. Appl. Cryst., 12, 3–8 (1979).Google Scholar
13. McCarthy, G. J., PDF Workbook, for Computer SEARCH/MATCH Methods, JCPDS, Swarthmore, PA (1981).Google Scholar
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).Google Scholar
15. Huang, T. C., Parrish, W. and Post, B., Adv. in S-ray Analysis, 26.Google Scholar
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.Google Scholar
17. Frevel, L. K., Anal. Chem., 54, 691–2 (1982).Google Scholar
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).Google Scholar
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).Google Scholar
20. Frevel, L. K., EfeLeeuw, D. C. and Albe, W. R., Norelco Reporter Vol. 29, Number 2, 38–39 (1982).Google Scholar
21. U.S. Patent 4, 247, 771 (1981).Google Scholar
22. Hamlin, R., “Proceedings of the Symposium on New Crystallographic Detectors,” Transactions of the American Crystallographic Association, Vol. 18, 95–123 (1982).Google Scholar
23. Giessen, B. C. and Gordon, G. E., Science, 159, 973–2 (1968).Google Scholar
24. Fukamachi, T., Hosoya, S. and Terasaki, O., J. Appl. Cryst., 6, 117–2 (1973).Google Scholar
25. Hantler, M. and Parrish, W., Adv. in X-ray Analysis, 20, 171–2 (1977).Google Scholar
26. Wilson, A. J. C., J. Appl. Cryst., 6., 230–2 (1973).Google Scholar
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. 33–54 (1980).Google Scholar
28. Duane, W. and Hunt, F. L., Phys. Rev., 6, 166–2 (1915).Google Scholar
29. Frevel, L. K. and Roth, W. C., Anal. Chem., 54, 677–2, (1982).Google Scholar
30. Frevel, L. K., Anal. Chem., 38, 1914–20, (1966).Google Scholar