Materials Data on TbCo3 by Materials Project

Abstract

TbCo3 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to twelve Co atoms. There are a spread of Tb–Co bond distances ranging from 2.87–3.10 Å. In the second Tb site, Tb is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Tb–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded to five Tb and seven Co atoms to form a mixture of edge, face, and corner-sharing CoTb5Co7 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.42–2.55 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Tb and six equivalent Co atoms. In the third Co site, Co is bonded to six equivalent Tb and six equivalent Co atoms to form CoTb6Co6 cuboctahedra that share corners with twelve equivalent CoTb5Co7 cuboctahedra, edges with six equivalent CoTb6Co6 cuboctahedra, and faces with eighteen equivalent CoTb5Co7 cuboctahedra.