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Here we present  45 Sc and  27 Al NMR results on Sc-doped pyrope (Mg 3 Al 2 Si 3 O 12 ), grossular (Ca 3 Al 2 Si 3 O 12 ), and an 80% grossular-20% pyrope garnet (grs80) that have recently been well-studied by X-ray diffraction and X-ray spectroscopies. Clearly distinct NMR peaks are observed for Sc in the eight-coordinated X site (pyrope and grs80) and in the six-coordinated Y site (grossular and grs80). X-ray and NMR data agree that only eight-coordinated Sc is present in pyrope and that six-coordinated Sc is predominant in grossular; however, the XRD results also indicated significant X and Z site (four-coordinated) Sc in the Ca-rich garnet. Possible reasons for this apparent discrepancy are discussed. We demonstrate that  45 Sc NMR is potentially a useful new method for studies of the site occupancies of Sc 3+  in oxides and silicates, at least in experimental systems where its concentration is a few percent or greater.

american mineralogist

Scandium-45 NMR of pyrope-grossular garnets: Resolution of multiple scandium sites and comparison with X-ray diffraction and X-ray absorption spectroscopy