Materials Data on TbMnAl by Materials Project

Abstract

TbMnAl is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Tb, six equivalent Mn, and six equivalent Al atoms. There are two shorter (3.32 Å) and two longer (3.40 Å) Tb–Tb bond lengths. There are two shorter (3.12 Å) and four longer (3.27 Å) Tb–Mn bond lengths. There are four shorter (3.21 Å) and two longer (3.22 Å) Tb–Al bond lengths. Mn is bonded to six equivalent Tb, two equivalent Mn, and four equivalent Al atoms to form MnTb6Mn2Al4 cuboctahedra that share corners with eight equivalent AlTb6Mn4Al2 cuboctahedra, corners with ten equivalent MnTb6Mn2Al4 cuboctahedra, edges with six equivalent MnTb6Mn2Al4 cuboctahedra, faces with six equivalent MnTb6Mn2Al4 cuboctahedra, and faces with twelve equivalent AlTb6Mn4Al2 cuboctahedra. Both Mn–Mn bond lengths are 2.75 Å. All Mn–Al bond lengths are 2.73 Å. Al is bonded to six equivalent Tb, four equivalent Mn, and two equivalent Al atoms to form AlTb6Mn4Al2 cuboctahedra that share corners with eight equivalent MnTb6Mn2Al4 cuboctahedra, corners with ten equivalent AlTb6Mn4Al2 cuboctahedra, edges with six equivalent AlTb6Mn4Al2 cuboctahedra, faces with six equivalent AlTb6Mn4Al2 cuboctahedra, and faces with twelve equivalent MnTb6Mn2Al4 cuboctahedra. Both Al–Al bond lengths are 2.79 Å.