• Structure refinement of polycrystalline orthorhombic yttrium substituted calcium titanate: Ca1−𝑥Y𝑥TiO3+𝛿 (𝑥 = 0.1–0.3)

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    • Keywords


      Perovskites; powder X-ray diffraction; Rietveld refinement; GSAS; nanoceramic.

    • Abstract


      The perovskite ceramic phases with composition Ca1−𝑥Y𝑥TiO3+𝛿 (where 𝑥 = 0.1, 0.2 and 0.3; hereafter CYT-10, CYT-20 and CYT-30) have been synthesized by solid state reaction at 1050°C. The structure refinement using general structure analysis system (GSAS) software converges to satisfactory profile indicators such as Rietveld parameters: Rp, Rwp, RF2 and goodness of fit. The title phases crystallize at room temperature in the space group 𝑃𝑏𝑛𝑚 (#62) with 𝑎 = 5.3741(4) Å, 𝑏 = 5.4300(4) Å, 𝑐 = 7.6229(5) Å and 𝑍 = 4. Major interatomic distances, bond angles and structure factors have been calculated from the step analysis data of the compound. The crystal morphology has been examined by scanning electron microscopy. Energy dispersive X-ray (EDX) analysis of the specimens show that yttrium enters into the structural framework of CaTiO3. The particle size of the ceramic phases along major reflection planes ranges between 12 and 40 nm. The polyhedral (CaO8 and TiO6) distortions and valence calculations from bond strength data are also reported.

    • Author Affiliations


      Rashmi Chourasia1 O P Shrivastava1

      1. Department of Chemistry, Dr H.S. Gour University, Sagar 470 003, India
    • Dates

  • Bulletin of Materials Science | News

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