Materials Data on TmGa5Co by Materials Project

Abstract

TmCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Tm is bonded to twelve Ga atoms to form TmGa12 cuboctahedra that share corners with four equivalent TmGa12 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with four equivalent GaTm4Ga8 cuboctahedra. There are eight shorter (2.97 Å) and four longer (2.98 Å) Tm–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.47 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.59–2.98 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Tm, two equivalent Co, and seven Ga atoms. Both Ga–Ga bond lengths are 2.97 Å. In the third Ga site, Ga is bonded to four equivalent Tm and eight Ga atoms to form distorted GaTm4Ga8 cuboctahedra that share corners with four equivalent GaTm4Ga8 cuboctahedra, faces with four equivalent TmGa12 cuboctahedra, and faces with four equivalent GaTm4Ga8 cuboctahedra.