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Determination of titanium NMR parameters of ATiO(3) compounds: correlations with structural distortion



Solid state Ti-47,Ti-49 NMR spectra have been obtained for a number of pelovskite and ilmenite ATiO(3) compounds. The Ti-49 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 similar to 160 ppm and correlates well with the mean Ti-O distance. The Mg-25 and Cd-113 NMR parameters are also reported for the relevant compounds. (C) 2000 Elsevier Science B.V. All rights reserved

Topics: QD, QC
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