  In the present study, structural changes due to gradual doping of Sr in
BaTiO3 were investigated by both x-ray and neutron powder diffraction
techniques. Ba1-xSrxTiO3 (x=0.0, 0.5 and 1.0) samples were synthesized by PVA
evaporation method and purity was confirmed by x-ray diffraction experiment.
After that, neutron diffraction experiments were carried out and diffraction
data were analyzed by Rietveld least-square data refinement method using the
computer program RIETAN-2000 and FullProf to determine various crystallographic
structural parameters. The cation and anion position 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 three
samples BaTiO3, Ba0.5Sr0.5TiO3, and SrTiO3, respectively. Moreover, the lattice
parameter values indicate, Ba1-xSrxTiO3 structure undergoes a phase transition
from tetragonal to cubic somewhere before x=0.5. The concurrences between
observed and calculated profiles were excellent and well consistent with the
previously reported values. Furthermore, MEM based analysis was done for charge
density measurement.
