Abstract

Crystal structure of BaTiO3 doped with 8% Ca2+ is refined using single-crystal neutron diffraction data and it is shown that the doped Ca2+ ion substitutes only at the Ba sites. The refined cell (P4 mm) parameters area=b=3·982(3) Å,c=4·003(3) Å with a finalR value of 0·02 (onF). Existence of multiple domains in the crystal is ruled out based on refinement with multidomain model.

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