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Structural elucidation of stabilized tetragonal ThSiO4: A neutron diffraction study

Published online by Cambridge University Press:  01 March 2012

V. Grover ,
Keka R. Chakraborty  and
A. K. Tyagi
V. Grover
Affiliation:
Applied Chemistry Division, Bhabha Atomic Research Centre, Mumbai-400 085, India
Keka R. Chakraborty
Affiliation:
Solid State Physics Division, Bhabha Atomic Research Centre, Mumbai-400 085, India
A. K. Tyagi*
Affiliation:
Applied Chemistry Division, Bhabha Atomic Research Centre, Mumbai-400 085, India
*
a)Electronic mail: aktyagi@magnum.barc.ernet.in
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Abstract

A new compound Th0.9Ce0.1SiO4, iso-typic to zircon, was prepared by heating predried ThO2, CeO2, and SiO2 (in the mole ratio 0.9:0.10:1.0) by a two-step heating protocol. The polycrystalline sample obtained was characterized by Rietveld refinement of the observed neutron diffraction data with the starting model of tetragonal ThSiO4. It has a body centered tetragonal structure with space group I41∕amd and four formula units per unit cell. The unit-cell parameters are a=7.1238(4) Å and c=6.3186(95) Å. The RP, Rwp, and Re factors are 7.77%, 10.9%, and 4.85%, respectively. The incorporation of about 10 mol % cerium was used to stabilize the tetragonal modification of ThSiO4.

Keywords

neutron diffractionRietveld refinementthorite

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Type
Technical Articles
Information
Powder Diffraction , Volume 20 , Issue 3 , September 2005 , pp. 215 - 217
Copyright
Copyright © Cambridge University Press 2005

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