Structural study of nano BaTiO3 powder by Rietveld refinement

Abstract The barium titanate (BaTiO 3 ) powder with the average particle size of 100 nm was synthesized by the hydrothermal processing using TiCl 4 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 BaTiO 3 powder. The structural parameters for the nano BaTiO 3 powder were successfully determined by the Rietveld refinement based on the analysis of MAS NMR and Raman spectra. The final weighted R -factor, R wp , was 6.89% and the goodness-of-fit indicator, S (= R wp / R e ), 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) A, a (= b ) = 4.0022(1) A, and c =4.0318(5) A, respectively.