Journal of the American Ceramic Society, Vol.92, No.2, 487-490, 2009
Synthesis, Rietveld Analysis, and Solid State Nuclear Magnetic Resonance of X-2-Sc2SiO5
Compounds containing rare earths are of increasing technological interest especially because of their unique mechanical, magnetic, electrical, and optical properties. Among them, rare earth oxyorthosilicates are attractive scintillators for gamma- and X-ray spectroscopy and detection. However, there are many structural aspects of those compounds that are not clear. In this research, the structure parameters for Sc2Si2O5, X-2-polymorph, have been refined from powder X-ray diffraction (XRD) data and the Si-29 MAS NMR spectrum is reported for the first time. X-2-Sc2SiO5 polymorph was synthesized by the sol-gel method and characterized by XRD and Si-29 MAS NMR. The XRD pattern was indexed in a monoclinic unit cell with space group I2/c; the resulting unit cell parameters were a=9.9674(2) angstrom, b=6.4264(9) angstrom, c=12.0636(2) angstrom, and beta=103.938(1)degrees. The Si-29 MAS NMR spectrum showed a unique signal at -79.5 ppm, compatible with the unique Si crystallographic site in the unit cell. Finally, the band valence method has been applied to the calculation of a "shift parameter," which is correlated with the NMR chemical shift.