Materials Data on YGa5Co by Materials Project

Abstract

YCoGa5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to twelve Ga atoms to form YGa12 cuboctahedra that share corners with four equivalent YGa12 cuboctahedra, faces with four equivalent YGa12 cuboctahedra, and faces with four equivalent GaY4Ga8 cuboctahedra. All Y–Ga bond lengths are 3.00 Å. Co is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Co–Ga bond lengths are 2.48 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 4-coordinate geometry to two equivalent Y, two equivalent Co, and seven Ga atoms. There are one shorter (2.58 Å) and six longer (3.00 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded to four equivalent Y and eight equivalent Ga atoms to form distorted GaY4Ga8 cuboctahedra that share corners with four equivalent GaY4Ga8 cuboctahedra, faces with four equivalent YGa12 cuboctahedra, and faces with four equivalent GaY4Ga8 cuboctahedra.