Materials Data on YbCO3 by Materials Project

Abstract

YbCO3 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Yb2+ sites. In the first Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. In the second Yb2+ site, Yb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Yb–O bond distances ranging from 2.37–2.64 Å. There are two inequivalent C4+ sites. In the first C4+ site, 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. In the second C4+ site, 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 six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb2+ and one C4+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Yb2+ and one C4+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to three Yb2+ and one C4+ atom.