Materials Data on Tb2Ga3Fe by Materials Project

Abstract

Tb2FeGa3 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Tb is bonded to three equivalent Fe and nine Ga atoms to form a mixture of edge and face-sharing TbGa9Fe3 cuboctahedra. All Tb–Fe bond lengths are 3.04 Å. There are three shorter (3.04 Å) and six longer (3.20 Å) Tb–Ga bond lengths. Fe is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ga atoms. All Fe–Ga bond lengths are 2.48 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.48 Å. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Fe atoms. In the third Ga site, Ga is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent Ga atoms.