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X-Ray Diffraction Data for SnO2. An Illustration of the New Powder Data Evaluation Methods

Published online by Cambridge University Press:  10 January 2013

Gregory J. McCarthy  and
Jean M. Welton
Gregory J. McCarthy
Affiliation:
Departments of Chemistry and Geology, North Dakota State University, Fargo, ND 58105, U.S.A.
Jean M. Welton
Affiliation:
Departments of Chemistry and Geology, North Dakota State University, Fargo, ND 58105, U.S.A.
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Abstract

The Powder Diffraction File (PDF) X-ray diffraction pattern for SnO2 (cassiterite, syn), determined in the early 1950's at the National Bureau of Standards, was evaluated using the NBS*AIDS83 editorial review program and a calculated powder pattern. Systematic errors in d-spacings and relative intensities were attributed to the lack of an iterative least-squares refinement of unit cell parameters, to inadequate precision in reporting d-spacings, to poor sensitivity to high angle reflections, and to detector dead time. A new SnO2 pattern was prepared and used to illustrate criteria for evaluation of powder patterns. An R-Factor for quantifying agreement between observed and calculated relative intensities was utilized. The systematic errors in the earlier pattern occurred at higher angles and did not hinder its usefulness for identification purposes.

Type
Research Article
Information
Powder Diffraction , Volume 4 , Issue 3 , September 1989 , pp. 156 - 159
Copyright
Copyright © Cambridge University Press 1989

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