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Structure refinement and calculated X-ray powder data for the pyrochlore Y2Sn2O7 derived from powder neutron data

Published online by Cambridge University Press:  10 January 2013

Geoffrey R. Facer ,
Christopher J. Howard  and
Brendan J. Kennedy
Geoffrey R. Facer
Affiliation:
Australian Nuclear Science and Technology Organisation, Lucas Heights Research Laboratories, Private Mail Bag 1, Menai, New South Wales 2234, Australia
Christopher J. Howard
Affiliation:
Australian Nuclear Science and Technology Organisation, Lucas Heights Research Laboratories, Private Mail Bag 1, Menai, New South Wales 2234, Australia
Brendan J. Kennedy
Affiliation:
Department of Inorganic Chemistry, The University of Sydney, Sydney, NSW 2006, Australia
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Abstract

The structure of pyrochlore type Y2Sn2O7 has been refined by Rietveld analysis from 1.4925 Å neutron powder diffraction data collected at 295 K and containing 46 independent reflections. The refinement figures of merit were Rp = 0.041, Rwp = 0.055, Rexp = 0.039, and RB = 0.006. The structure is a pyrochlore type, space group (S.G.) with a = 10.3723(1) Å, Dx = 6.21 g cm−3, and with the oxygen position parameter of 0.33694(5). The Sn atoms are in a nearly regular octahedral coordination whereas the Y has a distorted 8-fold coordination geometry. The anisotropic thermal parameters were also determined. The refined model has been used to calculate a set of d-I X-ray data for search/match analysis.

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Type
Research Article
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Powder Diffraction , Volume 8 , Issue 4 , December 1993 , pp. 245 - 248
Copyright
Copyright © Cambridge University Press 1993

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