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    • Geetha Ramakrishnan

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    • Volume 103 Issue 5 October 1991 pp 613-619 Inorganic and Analytical

      EPR of vanadyl ion in a natural mineral, apophyllite

      Geetha Ramakrishnan M B V L N Swamy P Sambasiva Rao S Subramanian

      More Details Abstract Fulltext PDF

      Single crystal EPR spectra of a natural mineral, apophyllite, containing VO(II) ion as an impurity have been investigated. The EPR spectra of the mineral, as obtained, was complex in nature, but was simplified by annealing the crystals at 490 K. The EPR parameters of the VO(II) species in the annealed crystal,g∥ = 1.924 (2);g⊥ = 1.983 (2);A∥ = 18.35 (5); andA⊥ = 7.24 (5)mT, are very close to a typical VO(II) impurity. Theoretically calculated line positions, using second-order hyperfine terms in the spin Hamiltonian with an axially symmetricg andA tensor values, agreed very well with the experimental ones. The EPR analysis of the annealed crystal has further revealed that the most preferred location of the VO(II) impurity is a substitutional Ca(II) site. The calculated bonding parameters and admixture coefficients indicate a fair amount of covalent bonding in the complex.

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