T. Vosegaard et al., GA-71 CHEMICAL SHIELDING AND QUADRUPOLE COUPLING TENSORS OF THE GARNET Y3GA5O12 FROM SINGLE-CRYSTAL GA-71 NMR, Inorganic chemistry, 36(11), 1997, pp. 2446-2450
A single-crystal Ga-71 NMR study of the garnet Y3Ga5O12 (YGG) has resu
lted in the determination of the first chemical shielding tensors repo
rted for the Ga-71 quadrupole. The single-crystal spectra are analyzed
in terms of the combined effect of quadrupole coupling and chemical s
hielding anisotropy (CSA). Ga-71 quadrupole coupling and CSA parameter
s for the two (tetrahedrally and octahedrally coordinated) gallium sit
es 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(sigm
a) = 24 +/- 3 ppm) are fully consistent with its cubic crystal structu
re which supports the reliability of the experimental data. In additio
n, the Ga-71 and Al-27 isotropic chemical shifts for YGG and YAG give
further support to the linear correlation observed earlier between Ga-
71 and Al-27 isotropic chemical shifts.