Hostname: page-component-8448b6f56d-mp689 Total loading time: 0 Render date: 2024-04-20T01:56:25.056Z Has data issue: false hasContentIssue false
  • English
  • Français

Fourier- Filtering Techniques for the Analysis of High- Resolution Pulsed Neutron Powder Diffraction Data

Published online by Cambridge University Press:  06 March 2019

James W. Richardson Jr.  and
John Faber Jr.
James W. Richardson Jr.
Affiliation:
IPNS and Department of Geophysical Sciences University of Chicago Chicago, Illinois 60637
John Faber Jr.
Affiliation:
Materials Science and Technology Divisions Argonne National Laboratory Argonne, Illinois 60439
Get access

Abstract

Rietveld profile refinements using high-resolution pulsed neutron povder diffraction data, collected at IPNS, often reveal broad intensity contributions from sources other than the crystalline materials being studied. Such non-crystalline intensity hampers standard Rietveld refinement, and its removal and/or identification is imperative for successful refinement of the crystalline structure. A Fourier-filtering technique allows removal of the non-crystalline scattering contributions to the overall scattering pattern and yields information about the noncrystalline material. In particular, Fourier transformation of residual intensities not accounted for by the Rietveld procedure results in a real-space correlation function similar to a radial distribution function (RDF). From the inverse Fourier transform of the correlation function a Fourier-filtered fit to the diffuse scattering is obtained. This mathematical technique was applied to data for crystalline quartz, amorphous silica, and to a simulated diffraction pattern for a mixture of the two phases.

Type
Research Article
Information
Advances in X-Ray Analysis , Volume 29: Thirty-Fourth Annual Conference on Applications of X-ray Analysis, August 5-9, 1985 , 1985 , pp. 143 - 152
Copyright
Copyright © International Centre for Diffraction Data 1985

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. Rietveld, H.M., “A Profile Refinement Method for Nuclear and Magnetic Structures”, Appl. Crystallogr. 2: 65 (1969).Google Scholar
2. Von Dreele, R. Jorgensen, J.D. and Windsor, C.G., “Rietveld Refinement vith Spallation Neutron Powder Diffraction Data”, Appl. Crystallogr. 15: 581 (1982).Google Scholar
3. Jorgensen, J.D. and Rotella, F.J., “High-Resolution Time-of-Flight Powder Diffractometer at the ZING-P’ Pulsed Neutron Source”, J. Appl. Crystallogr. 15: 27 (1982).Google Scholar
4. IPNS Progress Report 1983-1985, Argonne National Laboratory, Argonne, Illinois. Available from the IPNS. Divisional Office, Argonne National Laboratory, Argonne, Illinois 60439.Google Scholar
5. Bennett, J.M., Richardson, J.V., Jr., Pluth, J.J. and Smith, J.V., “Aluminophosphate Molecular Sieve A1PO4.-11: Structure Determination from Povder Using a Pulsed Neutron Source”, J. Chem. Soc., Chem. Comm., in press (1985).Google Scholar
6. Baur, W. and Fischer, R.X., “Recognition and Treatment of Background Problems in Neutron Powder Diffraction Refinements”, this volume (1985).Google Scholar
7. Lager, G.A., Jorgensen, J.D. and Rotella, F.J., “Crystal Structure and Thermal Expansion of os-Quartz Si02 at Low Temperatures”, J. Appl. Phys. 53: 10 (1982).Google Scholar