Materials Data on YbCo3 by Materials Project

Abstract

YbCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Yb–Co bond distances ranging from 2.88–3.01 Å. In the second Yb site, Yb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.17 Å) Yb–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Yb and seven Co atoms to form a mixture of corner, edge, and face-sharing CoYb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.50 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Yb and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Yb and six equivalent Co atoms to form CoYb6Co6 cuboctahedra that share corners with twelve equivalent CoYb5Co7 cuboctahedra, edges with six equivalent CoYb6Co6 cuboctahedra, and faces with eighteen equivalent CoYb5Co7 cuboctahedra.