Materials Data on YbGa5Co by Materials Project

Abstract

YbCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Yb is bonded to twelve Ga atoms to form YbGa12 cuboctahedra that share corners with four equivalent YbGa12 cuboctahedra, faces with four equivalent YbGa12 cuboctahedra, and faces with four equivalent GaYb4Ga8 cuboctahedra. There are eight shorter (2.96 Å) and four longer (2.99 Å) Yb–Ga bond lengths. Co is bonded in a body-centered cubic geometry to eight Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are five inequivalent Ga sites. In the first Ga site, Ga is bonded to four equivalent Yb and eight Ga atoms to form distorted GaYb4Ga8 cuboctahedra that share corners with four equivalent GaYb4Ga8 cuboctahedra, faces with four equivalent YbGa12 cuboctahedra, and faces with four equivalent GaYb4Ga8 cuboctahedra. All Ga–Ga bond lengths are 2.96 Å. In the second Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms. There are one shorter (2.62 Å) and four longer (2.99 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms. In the fifth Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Yb, two equivalent Co, and seven Ga atoms.