Materials Data on YbCO3 by Materials Project

Abstract

YbCO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Yb2+ is bonded to eight O2- atoms to form a mixture of distorted corner and edge-sharing YbO8 hexagonal bipyramids. There are a spread of Yb–O bond distances ranging from 2.31–2.70 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.29 Å) and two longer (1.30 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Yb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Yb2+ and one C4+ atom.