Crystal structure and vibrational spectra studies of stillwellite compounds NdBSiO5

Abstract The crystal structure of the stillwellite compound NdBSiO 5 has been studied by a combination of X-ray powder diffraction (XRD) and vibration spectroscopic techniques. The structure is refined by Rietveld technique, which indicates that the structural units of this compound are SiO 4 and BO 4 tetrahedra as well as irregular rare earth polyhedra. The Raman and infrared spectra of this compound have been investigated, and its interpretation is discussed on both theoretical and experimental bases. Assignments have been deduced from the systematic investigation of natural compounds and isotopic species with the help of isotopic shift data of 10 B- 11 B.