Materials Data on YbBiO3 by Materials Project
BiYbO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent O2- atoms to form distorted YbO6 pentagonal pyramids that share corners with three equivalent BiO6 octahedra, corners with six equivalent YbO6 pentagonal pyramids, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedral tilt angles are 65°. There are three shorter (2.33 Å) and three longer (2.44 Å) Yb–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra, corners with three equivalent YbO6 pentagonal pyramids, edges with three equivalent YbO6 pentagonal pyramids, and a faceface with one YbO6 pentagonal pyramid. The corner-sharing octahedral tilt angles are 42°. There are three shorter (2.22 Å) and three longer (2.31 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Yb3+ and two equivalent Bi3+ atoms.