Materials Data on ErBiO3 by Materials Project

Abstract

BiErO3 is Ilmenite-like structured and crystallizes in the trigonal R3c space group. The structure is three-dimensional. Er3+ is bonded to six equivalent O2- atoms to form distorted ErO6 octahedra that share corners with three equivalent BiO6 octahedra, corners with six equivalent ErO6 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 (2.22 Å) and three longer (2.34 Å) Er–O bond lengths. Bi3+ is bonded to six equivalent O2- atoms to form distorted BiO6 octahedra that share corners with three equivalent ErO6 octahedra, corners with six equivalent BiO6 octahedra, edges with three equivalent ErO6 octahedra, and a faceface with one ErO6 octahedra. The corner-sharing octahedra tilt angles range from 56–69°. There are three shorter (2.33 Å) and three longer (2.53 Å) Bi–O bond lengths. O2- is bonded in a distorted see-saw-like geometry to two equivalent Er3+ and two equivalent Bi3+ atoms.