Materials Data on UFeCo by Materials Project

Abstract

UFeCo is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to four equivalent U, six equivalent Fe, and six equivalent Co atoms. There are two shorter (2.97 Å) and two longer (3.02 Å) U–U bond lengths. There are four shorter (2.85 Å) and two longer (2.87 Å) U–Fe bond lengths. There are four shorter (2.87 Å) and two longer (2.88 Å) U–Co bond lengths. Fe is bonded to six equivalent U, two equivalent Fe, and four equivalent Co atoms to form FeU6Fe2Co4 cuboctahedra that share corners with eight equivalent CoU6Fe4Co2 cuboctahedra, corners with ten equivalent FeU6Fe2Co4 cuboctahedra, edges with six equivalent FeU6Fe2Co4 cuboctahedra, faces with six equivalent FeU6Fe2Co4 cuboctahedra, and faces with twelve equivalent CoU6Fe4Co2 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å. All Fe–Co bond lengths are 2.45 Å. Co is bonded to six equivalent U, four equivalent Fe, and two equivalent Co atoms to form CoU6Fe4Co2 cuboctahedra that share corners with eight equivalent FeU6Fe2Co4 cuboctahedra, corners with ten equivalent CoU6Fe4Co2 cuboctahedra, edges with six equivalent CoU6Fe4Co2 cuboctahedra, faces with six equivalent CoU6Fe4Co2 cuboctahedra, and faces with twelve equivalent FeU6Fe2Co4 cuboctahedra. Both Co–Co bond lengths are 2.42 Å.