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.
Volume 43, 2020
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