A study of crystal structure properties of Ba1-xSrxTiO3 by using x-ray diffraction and Rietveld refinement method

In the present study, structural change study due to gradual doping of Sr in BaTiO3 were investigated by X-ray technique. Ba1-xSrxTiO3 (x= 0, 0.26, 0.28. 0.3, 0.32. 0.34) samples were synthesized by Sol-gel auto-combustion method. After that XRD experiments were carried out and diffraction data were analyzed by Rietveld refinement least-square method using program FullProf to determine many crystallographic structural parameters. The cation and anion position positions coordinates were also determined from the data refinement method which confirmed that Ba and Sr atoms possess tetrahedral A site and Ti atoms possess octahedral B site for all samples BaTiO3 and Ba1-xSrxBaTiO3, structure phase for all samples showed tetragonal phase P4mm S.G. the concurrences between observed and calculated profiles were excellent with and well consistent with the reported values. Furthermore, Bond structure and electron density map was also done.