Materials Data on Y2Mn3Co by Materials Project

Abstract

Y2Mn3Co crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded in a 12-coordinate geometry to four equivalent Y, nine equivalent Mn, and three equivalent Co atoms. There are one shorter (3.11 Å) and three longer (3.19 Å) Y–Y bond lengths. There are three shorter (2.99 Å) and six longer (3.04 Å) Y–Mn bond lengths. All Y–Co bond lengths are 3.06 Å. Mn is bonded to six equivalent Y, four equivalent Mn, and two equivalent Co atoms to form distorted MnY6Mn4Co2 cuboctahedra that share corners with four equivalent CoY6Mn6 cuboctahedra, corners with fourteen equivalent MnY6Mn4Co2 cuboctahedra, edges with six equivalent MnY6Mn4Co2 cuboctahedra, faces with six equivalent CoY6Mn6 cuboctahedra, and faces with twelve equivalent MnY6Mn4Co2 cuboctahedra. All Mn–Mn bond lengths are 2.61 Å. Both Mn–Co bond lengths are 2.56 Å. Co is bonded to six equivalent Y and six equivalent Mn atoms to form CoY6Mn6 cuboctahedra that share corners with six equivalent CoY6Mn6 cuboctahedra, corners with twelve equivalent MnY6Mn4Co2 cuboctahedra, edges with six equivalent CoY6Mn6 cuboctahedra, and faces with eighteen equivalent MnY6Mn4Co2 cuboctahedra.