Materials Data on DyGaCo4 by Materials Project

Abstract

DyCo4Ga crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. Dy is bonded in a 6-coordinate geometry to fourteen Co and four equivalent Ga atoms. There are a spread of Dy–Co bond distances ranging from 2.75–3.20 Å. All Dy–Ga bond lengths are 3.16 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Dy, four equivalent Co, and two equivalent Ga atoms. All Co–Co bond lengths are 2.42 Å. Both Co–Ga bond lengths are 2.56 Å. In the second Co site, Co is bonded to four equivalent Dy, six Co, and two equivalent Ga atoms to form CoDy4Ga2Co6 cuboctahedra that share corners with four equivalent GaDy4Co8 cuboctahedra, corners with twelve equivalent CoDy4Ga2Co6 cuboctahedra, edges with four equivalent GaDy4Co8 cuboctahedra, edges with six equivalent CoDy4Ga2Co6 cuboctahedra, faces with four equivalent GaDy4Co8 cuboctahedra, and faces with six equivalent CoDy4Ga2Co6 cuboctahedra. Both Co–Co bond lengths are 2.45 Å. Both Co–Ga bond lengths are 2.49 Å. Ga is bonded to four equivalent Dy and eight Co atoms to form GaDy4Co8 cuboctahedra that share corners with eight equivalent CoDy4Ga2Co6 cuboctahedra, corners with eight equivalent GaDy4Co8 cuboctahedra, edges with two equivalent GaDy4Co8 cuboctahedra, edges with eight equivalent CoDy4Ga2Co6 cuboctahedra, faces with two equivalent GaDy4Co8 cuboctahedra, and faces with eight equivalent CoDy4Ga2Co6 cuboctahedra.