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Rietveld Structure Refinement of Metastable Lithium Disilicate Using Synchrotron X-Ray Powder Diffraction Data From the Daresbury SRS 8.3 Diffractometer

Published online by Cambridge University Press:  10 January 2013

R.I. Smith ,
A.R. West ,
I. Abrahams  and
P.G. Bruce
R.I. Smith
Affiliation:
Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB9 2UE, Scotland, U.K.
A.R. West
Affiliation:
Department of Chemistry, University of Aberdeen, Meston Walk, Old Aberdeen, AB9 2UE, Scotland, U.K.
I. Abrahams
Affiliation:
Department of Chemistry, Heriot-Watt University, Riccarton, Edinburgh, EH 14 4AS, Scotland, U.K.
P.G. Bruce
Affiliation:
Department of Chemistry, Heriot-Watt University, Riccarton, Edinburgh, EH 14 4AS, Scotland, U.K.
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Abstract

The crystal structure of metastable Li2Si2O5, Fw = 150.05, has been refined by the Rietveld method using high resolution X-ray powder diffraction data recorded at the Daresbury Synchrotron Radiation Source on the new 8.3 diffractometer. Li2Si2O5, in keeping with many compounds of interest to the materials scientist, exhibits relatively broad diffraction peaks. It is important to establish the quality of crystal structure data that may be obtained from such materials on this new instrument. Various functions were used to model the peak shape from this instrument; a split-Pearson VII function appeared to be marginally superior to Pearson VII or Pseudo-Voigt functions. Refinement was carried out using the split-Pearson VII in the space group Pbcn (60) and terminated with a = 5.6871(6), b = 4.7846(5), c = 14.645(1) Å, V = 398.50 Å3, Z=4, Dc= 2.502 gcm−3, Rwp = 17.06, Rex = 14.48 and Χ2 = 1.39. The refined parameters are compared with those obtained from a previous single crystal X-ray determination.

Type
Research Article
Information
Powder Diffraction , Volume 5 , Issue 3 , September 1990 , pp. 137 - 143
Copyright
Copyright © Cambridge University Press 1990

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