Materials Data on Tb5CoBi2 by Materials Project

Abstract

Tb5CoBi2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are four inequivalent Tb sites. In the first Tb site, Tb is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing TbCoBi4 trigonal bipyramids. The Tb–Co bond length is 2.70 Å. There are two shorter (3.22 Å) and two longer (3.23 Å) Tb–Bi bond lengths. In the second Tb site, Tb is bonded in a 5-coordinate geometry to one Co and four equivalent Bi atoms. The Tb–Co bond length is 2.71 Å. There are two shorter (3.26 Å) and two longer (3.29 Å) Tb–Bi bond lengths. In the third Tb site, Tb is bonded to one Co and four equivalent Bi atoms to form a mixture of distorted face, edge, and corner-sharing TbCoBi4 trigonal bipyramids. The Tb–Co bond length is 3.09 Å. There are two shorter (3.18 Å) and two longer (3.21 Å) Tb–Bi bond lengths. In the fourth Tb site, Tb is bonded in a 2-coordinate geometry to two equivalent Co and three equivalent Bi atoms. There are one shorter (2.79 Å) and one longer (2.88 Å) Tb–Co bond lengths. There are a spread of Tb–Bi bond distances ranging from 3.39–3.60 Å. Co is bonded to seven Tb atoms to form distorted edge-sharing CoTb7 pentagonal bipyramids. Bi is bonded in a 9-coordinate geometry to nine Tb atoms.