fig3

Figure 3. Local structures of BNT-BT-0.1BS refined by RMC fitting and neutron total scattering. (A-C) Fitting results of neutron scattering data, including Bragg data, S(Q) and G(r); (D) Perovskite ABO₃ structure with a polyhedral network; (E and F) Stereographic projections of atomic polar displacement vectors along the [001]_c direction; (G) Experimental and calculated pair distribution functions G(r) and correlation analysis of nearest-neighbor atomic pairs within the range of 1.3-3.7 Å; (H) Average amplitude of polar displacements; (I and J) Three-dimensional distribution images of A-site and B-site atoms, respectively; (K and L) Three-dimensional polar amplitude and polar angle distributions, respectively. BNT: Bi_0.5Na_0.5TiO₃; BT: BaTiO₃; BS: BaSnO₃; RMC: reverse Monte Carlo; TOF: time of flight.