Determination of crystal symmetry for Bi4Ti3O12-based ferroelectrics by using electron diffraction

Abstract

In recent years, inconsistent space groups of monoclinicB1a1 and orthorhombicB2cbhave been reported for the room-temperature ferroelectric phases of both Bi4Ti3O12and lanthanide-substituted Bi4Ti3O12. In this article, the electron diffraction technique is employed to unambiguously clarify the crystal symmetries of ferroelectric Bi4Ti3O12and Bi3.15Nd0.85Ti3O12single crystals at room temperature. All the reflections observed from the two crystals match well with those derived fromB1a1, but the observed reflections 010, 030, {\overline 2}10 and {\overline 2}30 should be forbidden in the case ofB2cb. This fact indicates that both the ferroelectrics are of the space groupB1a1 rather thanB2cb, which is confirmed by convergent-beam electron diffraction observations. On the basis of the monoclinic space groupB1a1, the lattice parameters of both the ferroelectrics were calculated by the Rietveld refinement of powder X-ray diffraction data.