The Application of the Profile Analysis of Diffraction Peaks for Determination of the Phase Relationships in the (1 – 2x)BiScO3 ⋅ xPbTiO3 ⋅ xPbMg1/3Nb2/3O3 System near the Morphotropic Phase Boundary

• Published in: Inorganic materials 2020, Vol.56 (15), p.1462-1466
• Main Authors: Sirotinkin, V. P., Bush, A. A., Spitsin, A. I., Segalla, A. G.
• Format: Article
• Language: English
• Subjects: Chemistry; Chemistry and Materials Science; Diffraction patterns; Industrial Chemistry/Chemical Engineering; Inorganic Chemistry; Materials Science; Phase boundaries; Phase relationships; Phases; Software; Structure and Properties Research Physical Methods of Research and Monitoring; Unit cell; X-ray diffraction
• ISSN: 0020-1685; 1608-3172
• DOI: 10.1134/S0020168520150170

To determine the phase relationships in the (1 – 2 x )BiScO 3 ⋅ x PbTiO 3 ⋅ x PbMg 1/3 Nb 2/3 O 3 system near the morphotropic phase boundary, the ceramic samples for x = 0.34 and x = 0.46 were studied by the XRD method. The profiles of nine regions of the XRD patterns were analyzed using the WinFit software program. In both cases, the best agreement with the experimental data was observed when additional phases with the cubic symmetry were introduced. Simulation of the full X-ray diffraction patterns of the samples using the Le Bail method showed that the samples under study contained two phases: the main phase with a cubic ( a = 4.0432 Å) ( x = 0.34) and a tetragonal ( a = 3.9963 Å, c = 4.0580 Å) ( x = 0.46) unit cell and an additional one. The additional phases with broad diffraction peaks can be considered to be cubic ones with the unit cell parameters a = 4.045 Å and a = 4.017 Å, respectively.