Materials Data on UMnCo by Materials Project

Abstract

UMnCo 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 Mn, and six equivalent Co atoms. There are two shorter (3.02 Å) and two longer (3.03 Å) U–U bond lengths. There are two shorter (2.89 Å) and four longer (2.91 Å) U–Mn bond lengths. There are four shorter (2.89 Å) and two longer (2.91 Å) U–Co bond lengths. Mn is bonded to six equivalent U, two equivalent Mn, and four equivalent Co atoms to form distorted MnU6Mn2Co4 cuboctahedra that share corners with eight equivalent CoU6Mn4Co2 cuboctahedra, corners with ten equivalent MnU6Mn2Co4 cuboctahedra, edges with six equivalent MnU6Mn2Co4 cuboctahedra, faces with six equivalent MnU6Mn2Co4 cuboctahedra, and faces with twelve equivalent CoU6Mn4Co2 cuboctahedra. Both Mn–Mn bond lengths are 2.46 Å. All Mn–Co bond lengths are 2.47 Å. Co is bonded to six equivalent U, four equivalent Mn, and two equivalent Co atoms to form CoU6Mn4Co2 cuboctahedra that share corners with eight equivalent MnU6Mn2Co4 cuboctahedra, corners with ten equivalent CoU6Mn4Co2 cuboctahedra, edges with six equivalent CoU6Mn4Co2 cuboctahedra, faces with six equivalent CoU6Mn4Co2 cuboctahedra, and faces with twelve equivalent MnU6Mn2Co4 cuboctahedra. Both Co–Co bond lengths are 2.48 Å.