Materials Data on Tb3GaCo3 by Materials Project

Abstract

Tb3Co3Ga crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 2-coordinate geometry to six Co and three equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.78–3.10 Å. There are one shorter (3.29 Å) and two longer (3.31 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 9-coordinate geometry to seven Co and two equivalent Ga atoms. There are a spread of Tb–Co bond distances ranging from 2.91–3.09 Å. Both Tb–Ga bond lengths are 3.22 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to six Tb, one Co, and two equivalent Ga atoms. The Co–Co bond length is 2.48 Å. Both Co–Ga bond lengths are 2.44 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to seven Tb and two equivalent Co atoms. Ga is bonded to eight Tb and four equivalent Co atoms to form a mixture of distorted face, edge, and corner-sharing GaTb8Co4 cuboctahedra.