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Determination of titanium NMR parameters of ATiO3 compounds: Correlations with structural distortion

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<mark>Journal publication date</mark>04/2000
<mark>Journal</mark>Solid State Nuclear Magnetic Resonance
Issue number4
Volume15
Number of pages6
Pages (from-to)231-236
Publication StatusPublished
<mark>Original language</mark>English

Abstract

Solid state 47,49Ti NMR spectra have been obtained for a number of perovskite and ilmenite ATiO3 compounds. The 49Ti quadrupole coupling constant varies from 2.75 MHz (CaTiO3) to 15.5 MHz (MgTiO3) and the electric field gradient at the titanium site was found to correlate well with the shear strain, independent of structure. The chemical shift in the perovskite structures varies by ∼160 ppm and correlates well with the mean Ti-O distance. The 25Mg and 113Cd NMR parameters are also reported for the relevant compounds. © 2002 Elseveir Science B.V. All rights reserved.