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.
Volume 44, 2021
Continuous Article Publishing mode
Prof. Subi Jacob George — Jawaharlal Nehru Centre for Advanced Scientific Research, Jakkur, Bengaluru
Chemical Sciences 2020
Prof. Surajit Dhara — School of Physics, University of Hyderabad, Hyderabad
Physical Sciences 2020
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