Materials Data on YMnCo by Materials Project

Abstract

YMnCo crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to six equivalent Mn and six equivalent Co atoms. There are two shorter (3.04 Å) and four longer (3.05 Å) Y–Mn bond lengths. There are two shorter (2.98 Å) and four longer (3.11 Å) Y–Co bond lengths. Mn is bonded to six equivalent Y, two equivalent Mn, and four equivalent Co atoms to form distorted MnY6Mn2Co4 cuboctahedra that share corners with eight equivalent CoY6Mn4Co2 cuboctahedra, corners with ten equivalent MnY6Mn2Co4 cuboctahedra, edges with six equivalent MnY6Mn2Co4 cuboctahedra, faces with six equivalent MnY6Mn2Co4 cuboctahedra, and faces with twelve equivalent CoY6Mn4Co2 cuboctahedra. Both Mn–Mn bond lengths are 2.66 Å. All Mn–Co bond lengths are 2.59 Å. Co is bonded to six equivalent Y, four equivalent Mn, and two equivalent Co atoms to form CoY6Mn4Co2 cuboctahedra that share corners with eight equivalent MnY6Mn2Co4 cuboctahedra, corners with ten equivalent CoY6Mn4Co2 cuboctahedra, edges with six equivalent CoY6Mn4Co2 cuboctahedra, faces with six equivalent CoY6Mn4Co2 cuboctahedra, and faces with twelve equivalent MnY6Mn2Co4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å.