Materials Data on UCrCo by Materials Project

Abstract

UCrCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to two equivalent U, six equivalent Cr, and six equivalent Co atoms. Both U–U bond lengths are 2.76 Å. There are four shorter (2.89 Å) and two longer (3.19 Å) U–Cr bond lengths. There are four shorter (2.80 Å) and two longer (2.99 Å) U–Co bond lengths. Cr is bonded to six equivalent U, two equivalent Cr, and four equivalent Co atoms to form distorted CrU6Cr2Co4 cuboctahedra that share corners with eight equivalent CoU6Cr4Co2 cuboctahedra, corners with ten equivalent CrU6Cr2Co4 cuboctahedra, edges with six equivalent CrU6Cr2Co4 cuboctahedra, faces with six equivalent CrU6Cr2Co4 cuboctahedra, and faces with twelve equivalent CoU6Cr4Co2 cuboctahedra. Both Cr–Cr bond lengths are 2.24 Å. All Cr–Co bond lengths are 2.55 Å. Co is bonded to six equivalent U, four equivalent Cr, and two equivalent Co atoms to form CoU6Cr4Co2 cuboctahedra that share corners with eight equivalent CrU6Cr2Co4 cuboctahedra, corners with ten equivalent CoU6Cr4Co2 cuboctahedra, edges with six equivalent CoU6Cr4Co2 cuboctahedra, faces with six equivalent CoU6Cr4Co2 cuboctahedra, and faces with twelve equivalent CrU6Cr2Co4 cuboctahedra. Both Co–Co bond lengths are 2.54 Å.