Materials Data on DyMnAl by Materials Project

Abstract

DyMnAl is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Dy is bonded in a 12-coordinate geometry to four equivalent Dy, six equivalent Mn, and six equivalent Al atoms. There are two shorter (3.30 Å) and two longer (3.36 Å) Dy–Dy bond lengths. There are two shorter (3.11 Å) and four longer (3.23 Å) Dy–Mn bond lengths. There are two shorter (3.18 Å) and four longer (3.19 Å) Dy–Al bond lengths. Mn is bonded to six equivalent Dy, two equivalent Mn, and four equivalent Al atoms to form MnDy6Mn2Al4 cuboctahedra that share corners with eight equivalent AlDy6Mn4Al2 cuboctahedra, corners with ten equivalent MnDy6Mn2Al4 cuboctahedra, edges with six equivalent MnDy6Mn2Al4 cuboctahedra, faces with six equivalent MnDy6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlDy6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.73 Å. All Mn–Al bond lengths are 2.71 Å. Al is bonded to six equivalent Dy, four equivalent Mn, and two equivalent Al atoms to form AlDy6Mn4Al2 cuboctahedra that share corners with eight equivalent MnDy6Mn2Al4 cuboctahedra, corners with ten equivalent AlDy6Mn4Al2 cuboctahedra, edges with six equivalent AlDy6Mn4Al2 cuboctahedra, faces with six equivalent AlDy6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnDy6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.76 Å.