Materials Data on DyCoNi by Materials Project

Abstract

DyCoNi is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to six equivalent Co and six equivalent Ni atoms. There are two shorter (2.94 Å) and four longer (2.95 Å) Dy–Co bond lengths. There are four shorter (2.93 Å) and two longer (2.98 Å) Dy–Ni bond lengths. Co is bonded to six equivalent Dy, two equivalent Co, and four equivalent Ni atoms to form CoDy6Co2Ni4 cuboctahedra that share corners with eight equivalent NiDy6Co4Ni2 cuboctahedra, corners with ten equivalent CoDy6Co2Ni4 cuboctahedra, edges with six equivalent CoDy6Co2Ni4 cuboctahedra, faces with six equivalent CoDy6Co2Ni4 cuboctahedra, and faces with twelve equivalent NiDy6Co4Ni2 cuboctahedra. Both Co–Co bond lengths are 2.50 Å. All Co–Ni bond lengths are 2.52 Å. Ni is bonded to six equivalent Dy, four equivalent Co, and two equivalent Ni atoms to form NiDy6Co4Ni2 cuboctahedra that share corners with eight equivalent CoDy6Co2Ni4 cuboctahedra, corners with ten equivalent NiDy6Co4Ni2 cuboctahedra, edges with six equivalent NiDy6Co4Ni2 cuboctahedra, faces with six equivalent NiDy6Co4Ni2 cuboctahedra, and faces with twelve equivalent CoDy6Co2Ni4 cuboctahedra. Both Ni–Ni bond lengths are 2.51 Å.