Materials Data on TmBiO3 by Materials Project

Abstract

TmBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent O2- atoms to form distorted TmO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent TmO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 39–69°. There are three shorter (2.21 Å) and three longer (2.32 Å) Tm–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent TmO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent TmO6 octahedra, and a faceface with one TmO6 octahedra. The corner-sharing octahedra tilt angles range from 57–69°. There are three shorter (2.34 Å) and three longer (2.50 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Tm3+ and two equivalent Bi3+ atoms.