Author:
Richardson James W.,Faber John
Abstract
AbstractRietveld 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.
Publisher
Cambridge University Press (CUP)
Reference7 articles.
1. IPNS Progress Report 1983-1985, Argonne National Laboratory, Argonne, Illinois. Available from the IPNS. Divisional Office, Argonne National Laboratory, Argonne, Illinois 60439.
2. Rietveld refinement with spallation neutron powder diffraction data
3. Baur W. and Fischer R.X. , “Recognition and Treatment of Background Problems in Neutron Powder Diffraction Refinements”, this volume (1985).
4. A profile refinement method for nuclear and magnetic structures
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).
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