Structural study of nano BaTiO3 powder by Rietveld refinement

The barium titanate (BaTiO3) powder with the average particle size of 100 nm was synthesized by the hydrothermal processing using TiCl4 and Ba(OH)2 as precursors. The Rietveld refinement, the magic angle spinning nuclear magnetic resonance (MAS NMR) and the Raman spectroscopy were employed to get the structural information of the nano BaTiO3 powder. The structural parameters for the nano BaTiO3 powder were successfully determined by the Rietveld refinement based on the analysis of MAS NMR and Raman spectra. The final weighted R-factor, Rwp, was 6.89% and the goodness-of-fit indicator, S (= Rwp/Re), was 1.30. The mass fraction of cubic and tetragonal phases based on the refined scale factors for the two phases was 82.0 and 18.0%, respectively. The lattice parameters of cubic and tetragonal phases were a (= b=c) = 4.0185(1) إ, a (= b) = 4.0022(1) إ, and c=4.0318(5) إ, respectively.