• Mathematical aspects of Rietveld refinement and crystal structure studies on PbTiO3 ceramics

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      https://www.ias.ac.in/article/fulltext/boms/034/07/1495-1500

    • Keywords

       

      Rietveld; PbTiO3; XRD; oxides.

    • Abstract

       

      The core mathematics, goodness-of-fit parameters of Rietveld refinement technique is introduced for structural analysis of crystalline materials not available as single crystals. X-ray diffraction (XRD) patterns of PbTiO3 compound prepared by following solid-state route, suggests it to be in single crystal form. All the observed peaks could be indexed to $P4mm$ space group with tetragonal symmetry. XRD pattern is analysed by employing Rietveld method. The unit cell parameters are found to be 𝑎 = 𝑏 = 3.8987 (0.0008) Å and 𝑐 = 4.1380 (0.0009) Å. The axial ratio 𝑐/𝑎 and unit cell volume are found to be 1.0614 and 62.896 (0.023) Å3. Bond lengths and angles are calculated using the cell parameters. Using the Rietveld refinement parameters a stable PbTiO3 structure is suggested.

    • Author Affiliations

       

      Niranjan Sahu1 S Panigrahi1

      1. Department of Physics, National Institute of Technology, Rourkela 769 008, India
    • Dates

       
  • Bulletin of Materials Science | News

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