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Evaluation of Reference X-ray Diffraction Patterns in the ICDD Powder Diffraction File

  • G. J. McCarthy (a1), J. M. Holzer (a1), W. M. Syvinski (a1), K. J. Martin (a1) and R. G. Garvey (a1)...


Procedures and tools for evaluation of reference x-ray powder patterns in the JCPDSICDD Powder Diffraction File are illustrated by a review of air-stable binary oxides. The reference patterns are evaluated using an available microcomputer version of the NBS*A1DS83 editorial program and PDF patterns retrieved directly from the CD-ROM in the program's input format. The patterns are compared to calculated and experimental diffractograms. The majority of the oxide patterns have been found to be in good agreement with the calculated and observed diffractograms, but are often missing some weak reflections routinely observed with a modern diffractometer. These weak reflections are added to the PDF pattern. For the remainder of the phases, patterns are redetermined.



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3. Standard Reference Materials Silicon SRM-640b (1987) and LaB6 SRM-660 (1989) can be obtained from the National Institute of Standards and Technology, Office of Standard Reference Materials, Gaithersburg, MD USA.
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7. Smith, D. K. and Smith, K. L., Micro-POWD, Materials Data Inc., Livermore, CA USA (1987).
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10. Smith, G. S. and Snyder, R. L., FN: A Criterion for Rating Powder Diffraction Patterns and Evaluating the Reliability of Powder Pattern Indexing, J. Appl. Crystallogr, 23:6065 (1979).


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