Hostname: page-component-78c5997874-m6dg7 Total loading time: 0 Render date: 2024-11-19T11:10:52.783Z Has data issue: false hasContentIssue false
  • English
  • Français

Computer Identification Techniques for Crystalline Compounds Using the JCPDS Powder Diffraction File as a Data Reference

Published online by Cambridge University Press:  06 March 2019

George Van Trump  and
Phoebe L. Hauff
George Van Trump
Affiliation:
U.S. Geological Survey Box 25046, Denver Federal Center Denver, Colorado 80225
Phoebe L. Hauff
Affiliation:
U.S. Geological Survey Box 25046, Denver Federal Center Denver, Colorado 80225
Get access

Abstract

The mineralogy laboratory of the U.S. Geological Survey in Denver has developed a series of time-sharing oriented computer programs which aid in the identification of crystalline compounds from chemical and X-ray diffraction data. These programs operate on a data base compiled primarily from the Powder Diffraction File of the Joint Committee on Powder Diffraction Standards (JCPDS). Diagrammatic X-ray diffraction patterns and various search tables are products of these programs. Additional programs can retrieve information from the data base by chemical formula components or Powder Diffraction File number, and can search and match reflections of an unknown against reference patterns.

Type
X-Ray Powder Diffraction
Information
Advances in X-Ray Analysis , Volume 20: Twenty-Fifth Annual Conference on Applications of X-ray Analysis, August 4-6, 1976 , 1976 , pp. 103 - 112
Copyright
Copyright © International Centre for Diffraction Data 1976

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

1. George, VanTrump Jr. and Hauff, P. L., “The Mineral X-Ray Diffraction Data File; Description and Indices”, U.S. Geol. Survey Open-file Report 76-406, 145 p. (1976).Google Scholar
2. Joint Committee on Powder Diffraction Standards, “The Powder Diffraction File, sets 1-25,” available from the Joint Committee on Powder Diffraction Standards, 1601 Park Lane, Swarthmore, Pa. 19081 (1975).Google Scholar
3. Borg, I. Y. and Smith, D. K., “Calculated X-Ray Powder Patterns for Silicate Minerals,” Geol. Soc. Amer. Memoir 122, 896 p. (1969).Google Scholar
4. Berry, L. G. and Thompson, R. M., “X-Ray Powder Data for Ore Minerals --The Peacock Atlas,” Geol. Soc. Amer. Memoir 85, 281 p. (1962).Google Scholar
5. Ondik, H. M. and Mighell, A. D., “Crystal Data Tape, Derived from the 3rd Edition of Crystal Data Determinative Tables, National Bureau of Standards,” available from the National Technical Information Service, U.S. Department of Commerce, 5285 Port Royal Road, Springfield, Va. 22151 (1976).Google Scholar
6. Donnay, J. D. H. and Helen M., Ondik, “Crystal Data Determinative Tables, 3rd Edition: U.S. Bureau of Standards and the Joint Committee on Powder Diffraction Standards,” available from JCPDS, 1601 Park Lane, Swarthmore, Pa. 19081 (1973).Google Scholar
7. Joint Committee on Powder Diffraction Standards, “Powder Diffraction File Search Manual— Hanawalt Method— Inorganic, sets 1-25,” available from the Joint Committee on Powder Diffraction Standards, 1601 Park Lane, Swarthmore, Pa. 19081, 994 p. (1975).Google Scholar
8. George, VanTrump Jr. and Hauff, P. L., “Mineral X-Ray Diffraction Data Retrieval/Plot Computer Program--Program Listing,” U.S. Geol. Survey Open-file Report 76-404, 24 p. (1976).Google Scholar
9. Charles G., Cunningham Jr., Robert B., Hall, Phoebe L., Hauff, and George, VanTrump Jr., “Alunite-Natroalunite Identification Using Field Tests and a Computer Plotted Overlay for X-Ray Diffraction Charts,” U.S. Geol. Survey Open-file Report 76-403, 9 p. (1976).Google Scholar
10. Hauff, P. L. and George, VanTrump Jr., “Mineral X-Ray Diffraction Data Retrieval/Plot Computer Program--Laboratory Manual,” U.S. Geol. Survey Open-file Report 76-407, 55 p. (1976).Google Scholar
11. Monte C., Nichols, “A Fortran II Program for the Identification of X-Ray Powder Diffraction Patterns, UCRL-70078,” Lawrence Radiation Laboratory, University of California, Livermore, California, 119 p. (1966).Google Scholar
12. Monte C., Nichols, Quinton C., Johnson, and Eileen Kahara, M., “Characteristics of an Effective Computer Based Powder Search System,” American Crystallographic Association, Twenty-Fifth Anniversary Meeting--Program and Abstracts (1975).Google Scholar
13. Ludo K. , Frevel, “Computational Aids for Identifying Crystalline Phases by Powder Diffraction,” Analytical Chemistry, Vol. 37 p. 471–482 (1965).Google Scholar