Materials Data on YbAuO3 by Materials Project

Abstract

YbAuO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Yb3+ is bonded to twelve equivalent O2- atoms to form YbO12 cuboctahedra that share corners with twelve equivalent YbO12 cuboctahedra, faces with six equivalent YbO12 cuboctahedra, and faces with eight equivalent AuO6 octahedra. All Yb–O bond lengths are 2.86 Å. Au3+ is bonded to six equivalent O2- atoms to form AuO6 octahedra that share corners with six equivalent AuO6 octahedra and faces with eight equivalent YbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Au–O bond lengths are 2.02 Å. O2- is bonded to four equivalent Yb3+ and two equivalent Au3+ atoms to form a mixture of distorted face, edge, and corner-sharing OYb4Au2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.