Materials Data on SmGa5Co by Materials Project

Abstract

SmCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ga atoms to form a mixture of corner and face-sharing SmGa12 cuboctahedra. There are four shorter (3.02 Å) and eight longer (3.05 Å) Sm–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.49 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted square co-planar geometry to four equivalent Sm and eight equivalent Ga atoms. All Ga–Ga bond lengths are 3.05 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Sm, two equivalent Co, and seven Ga atoms. There are one shorter (2.58 Å) and four longer (3.02 Å) Ga–Ga bond lengths.