Electric field gradient distributions about strontium nuclei in cubic and octahedrally symmetric crystal systems

Geoffrey M. Bowers, Karl Todd Mueller

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Abstract

Strontium nuclei (Sr87) in natural abundance are examined with magic angle spinning (MAS) nuclear magnetic resonance (NMR) of powder samples possessing either simple cubic (SrO) or fluorite-analogue (SrCl2 and SrF2) structures. The MAS spectra of these samples reveal a sideband pattern resulting from first order quadrupolar broadening of the outer transitions brought about by imperfections in the crystal structure. These imperfections lead to a distribution of electric field gradients (efgs) that can be characterized in these cases by fitting integrated sideband intensities as a function of spectral frequency with a Lorentzian function. Strontium oxide is simple cubic and found to have an isotropic Sr87 chemical shift of 340±1ppm with respect to 1 M SrCl2 (aqueous) and an efg distribution with a full width at half-height (FWHH) of 50.4±2.5kHz. Strontium chloride (anhydrous) is isostructural with fluorite and was found to have a Sr87 chemical shift of 45.9±1.2ppm and an efg distribution with a FWHH of 30.9±1.4kHz. Strontium fluoride is also isostructural with fluorite and had a Sr87 chemical shift of -13.0±1.2ppm and an efg FWHH of 104±18kHz.

Original languageEnglish (US)
Article number224112
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume71
Issue number22
DOIs
StatePublished - Jun 1 2005

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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