Materials Data on MnCo3 by Materials Project

Abstract

Co3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Co atoms to form MnCo12 cuboctahedra that share corners with six equivalent MnCo12 cuboctahedra, corners with twelve equivalent CoMn4Co8 cuboctahedra, edges with eighteen equivalent CoMn4Co8 cuboctahedra, faces with eight equivalent MnCo12 cuboctahedra, and faces with twelve equivalent CoMn4Co8 cuboctahedra. There are six shorter (2.43 Å) and six longer (2.47 Å) Mn–Co bond lengths. Co is bonded to four equivalent Mn and eight equivalent Co atoms to form distorted CoMn4Co8 cuboctahedra that share corners with four equivalent MnCo12 cuboctahedra, corners with fourteen equivalent CoMn4Co8 cuboctahedra, edges with six equivalent MnCo12 cuboctahedra, edges with twelve equivalent CoMn4Co8 cuboctahedra, faces with four equivalent MnCo12 cuboctahedra, and faces with sixteen equivalent CoMn4Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.44–2.48 Å.