Materials Data on HoMnFe by Materials Project

Abstract

HoMnFe crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ho is bonded in a 12-coordinate geometry to four equivalent Ho, six equivalent Mn, and six equivalent Fe atoms. There are two shorter (3.12 Å) and two longer (3.14 Å) Ho–Ho bond lengths. There are four shorter (2.98 Å) and two longer (3.01 Å) Ho–Mn bond lengths. There are two shorter (2.98 Å) and four longer (3.02 Å) Ho–Fe bond lengths. Mn is bonded to six equivalent Ho, two equivalent Mn, and four equivalent Fe atoms to form MnHo6Mn2Fe4 cuboctahedra that share corners with eight equivalent FeHo6Mn4Fe2 cuboctahedra, corners with ten equivalent MnHo6Mn2Fe4 cuboctahedra, edges with six equivalent MnHo6Mn2Fe4 cuboctahedra, faces with six equivalent MnHo6Mn2Fe4 cuboctahedra, and faces with twelve equivalent FeHo6Mn4Fe2 cuboctahedra. Both Mn–Mn bond lengths are 2.58 Å. All Mn–Fe bond lengths are 2.55 Å. Fe is bonded to six equivalent Ho, four equivalent Mn, and two equivalent Fe atoms to form FeHo6Mn4Fe2 cuboctahedra that share corners with eight equivalent MnHo6Mn2Fe4 cuboctahedra, corners with ten equivalent FeHo6Mn4Fe2 cuboctahedra, edges with six equivalent FeHo6Mn4Fe2 cuboctahedra, faces with six equivalent FeHo6Mn4Fe2 cuboctahedra, and faces with twelve equivalent MnHo6Mn2Fe4 cuboctahedra. Both Fe–Fe bond lengths are 2.53 Å.