{sup 71}Ga chemical shielding and quadrupole coupling tensors of the garnet Y{sub 3}Ga{sub 5}O{sub 12} from single-crystal {sup 71}Ga NMR

Journal Article · Wed May 21 00:00:00 EDT 1997 · Inorganic Chemistry

DOI:https://doi.org/10.1021/ic970012u· OSTI ID:563610

Vosegaard, T; Jakobsen, H J ^[1]; Massiot, D ^[2]

---

1. Univ. of Aarhus (Denmark)
2. Centre de Recherches sur la Physique des Hautes Temperatures, Orleans (France); and others

A single crystal {sup 71}Ga NMR study of the garnet Y{sub 3}Ga{sub 5}O{sub 12} (YGG) has resulted in the determination of the first chemical shielding tensors reported for the {sup 71}GA quadrupole. The single-crystal spectra are analyzed in terms of the combined effect of quadrupole coupling and chemical shielding anisotropy (CSA). {sup 71}Ga quadrupole coupling and CSA parameters for the two (tetrahedrally and octahedrally coordinated) gallium sites with axial symmetry in YGG (Ga{sub IV}, C{sub Q} = 13.1 {+-} 0.2 MHz and {delta}{sub {sigma}} = 54 {+-} 50 ppm; Ga{sub VI}, C{sub Q} = 4.10 {+-} 0.06 MHz and {delta}{sub {sigma}} = 24 {+-} 3 ppm) are fully consistent with its cubic crystal structure which supports the reliability of the experimental data. In addition, the {sup 71}Ga and {sup 27}Al isotropic chemical shifts for YGG and YAG give further support to the linear correlation observed earlier between {sup 71}Ga and {sup 27}Al isotropic chemical shifts. 52 refs., 5 figs., 2 tabs.

• OSTI ID: 563610
• Journal Information: Inorganic Chemistry, Vol. 36, Issue 11; Other Information: PBD: 21 May 1997
• Country of Publication: United States
• Language: English

Related Subjects

40 CHEMISTRY
36 MATERIALS SCIENCE
GALLIUM COMPOUNDS
ANISOTROPY
CRYSTAL STRUCTURE
STRUCTURAL CHEMICAL ANALYSIS
NMR SPECTRA
CHEMICAL SHIFT
QUADRUPOLES
E2-TRANSITIONS
AXIAL SYMMETRY
CHEMICAL PROPERTIES
USES
FERRITE GARNETS
COUPLING
QUADRUPOLE MOMENTS
QUADRUPOLAR CONFIGURATIONS
ZEOLITES
CATALYSTS
NMR SPECTROMETERS