Materials Data on Tb6GaCo2 by Materials Project

Abstract

Tb6Co2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Tb sites. In the first Tb site, Tb is bonded in a 4-coordinate geometry to two Co and two Ga atoms. There are one shorter (2.79 Å) and one longer (3.29 Å) Tb–Co bond lengths. There are one shorter (2.98 Å) and one longer (3.31 Å) Tb–Ga bond lengths. In the second Tb site, Tb is bonded in a 4-coordinate geometry to three Co and one Ga atom. There are one shorter (2.73 Å) and two longer (2.85 Å) Tb–Co bond lengths. The Tb–Ga bond length is 3.38 Å. In the third Tb site, Tb is bonded in a 5-coordinate geometry to three Co and two Ga atoms. There are two shorter (2.88 Å) and one longer (3.15 Å) Tb–Co bond lengths. There are one shorter (3.20 Å) and one longer (3.58 Å) Tb–Ga bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.60 Å. In the second Co site, Co is bonded in a 9-coordinate geometry to eight Tb and one Co atom. The Co–Co bond length is 2.24 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Tb atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Tb atoms.