71Ga Chemical Shielding and Quadrupole Coupling Tensors of the Garnet Y(3)Ga(5)O(12) from Single-Crystal (71)Ga NMR

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  • Thomas Vosegaard
  • Dominique Massiot, Centre de Recherches sur la Physique des Hautes Températures., France
  • Nathalie Gautier, Centre de Recherches sur la Physique des Hautes Températures., France
  • Hans J. Jakobsen

A single-crystal (71)Ga NMR study of the garnet Y(3)Ga(5)O(12) (YGG) has resulted in the determination of the first chemical shielding tensors reported for the (71)Ga quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding anisotropy (CSA). (71)Ga quadrupole coupling and CSA parameters for the two (tetrahedrally and octahedrally coordinated) gallium sites with axial symmetry in YGG (Ga(IV), C(Q) = 13.1 +/- 0.2 MHz and delta(sigma) = 54 +/- 50 ppm; Ga(VI), C(Q) = 4.10 +/- 0.06 MHz and delta(sigma) = 24 +/- 3 ppm) are fully consistent with its cubic crystal structure which supports the reliability of the experimental data. In addition, the (71)Ga and (27)Al isotropic chemical shifts for YGG and YAG give further support to the linear correlation observed earlier between (71)Ga and (27)Al isotropic chemical shifts.

Original languageEnglish
JournalInorganic Chemistry
Pages (from-to)2446-2450
Number of pages5
Publication statusPublished - 1997

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