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Derivation of d-Values from Digitized X-ray and Synchrotron Diffraction Data

Published online by Cambridge University Press:  06 March 2019

T. C. Huang ,
W. Parrish ,
N. Masciocchi  and
P. W. Wang
T. C. Huang
Affiliation:
IBM Research Division, Almaden Research Center, San Jose, CA 95120
W. Parrish
Affiliation:
IBM Research Division, Almaden Research Center, San Jose, CA 95120
N. Masciocchi
Affiliation:
IBM Research Division, Almaden Research Center, San Jose, CA 95120
P. W. Wang
Affiliation:
IBM Research Division, Almaden Research Center, San Jose, CA 95120
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Abstract

A precise and practical method for the determination of d-values and lattice parameters from digital diffraction data is described. Systematic errors are corrected mathematically during a d-spacing / lattice-parameter least-Squares refincment process making it unnecessary to use internal standards. X-ray and synchrotron diffraction data of an ICDD alumina plate obtained with a wide variety of experimental conditions and analysis parameters were used to study the precision in the derivation of d-values and the accuracy in the determination of lattice parameters. Results showed that the precision in determining d-values was high with |Δd/d|avg ranging from 2x105 to 4x10-5. Using the results obtained from the high precision XRD analysis as a reference standard, the accuracy in the lattice parameter determinations from the synchrotron diffraction data reached the l-2x10-6] range. Lattice parameters, with an accuracy in the high 10-5 range, were also obtained using parameters commonly used in a routine XRD analysis such as a wide RS (0.11°) for high intensity, peaks only in the front reflection region, no Kα2 stripping, and a Single 2θo parameter for systematic error corrections.

Type
Research Article
Information
Advances in X-Ray Analysis , Volume 33: Thirty-Eighth Annual Conference on Applications of X-ray Analysis, July 31 - August 4, 1989 , 1989 , pp. 295 - 303
Copyright
Copyright © International Centre for Diffraction Data 1989

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