Materials Data on HoBiO3 by Materials Project

Abstract

HoBiO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Ho3+ is bonded to six equivalent O2- atoms to form distorted HoO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent HoO6 octahedra, edges with three equivalent BiO6 octahedra, and a faceface with one BiO6 octahedra. The corner-sharing octahedra tilt angles range from 40–69°. There are three shorter (2.22 Å) and three longer (2.34 Å) Ho–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent HoO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent HoO6 octahedra, and a faceface with one HoO6 octahedra. The corner-sharing octahedra tilt angles range from 55–69°. There are three shorter (2.32 Å) and three longer (2.52 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Ho3+ and two equivalent Bi3+ atoms.