Materials Data on Tb2Mn3Al by Materials Project

Abstract

Tb2Mn3Al is Hexagonal Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tb is bonded in a 12-coordinate geometry to four equivalent Tb, nine equivalent Mn, and three equivalent Al atoms. There are one shorter (3.20 Å) and three longer (3.34 Å) Tb–Tb bond lengths. There are three shorter (3.13 Å) and six longer (3.16 Å) Tb–Mn bond lengths. All Tb–Al bond lengths are 3.19 Å. Mn is bonded to six equivalent Tb, four equivalent Mn, and two equivalent Al atoms to form MnTb6Mn4Al2 cuboctahedra that share corners with four equivalent AlTb6Mn6 cuboctahedra, corners with fourteen equivalent MnTb6Mn4Al2 cuboctahedra, edges with six equivalent MnTb6Mn4Al2 cuboctahedra, faces with six equivalent AlTb6Mn6 cuboctahedra, and faces with twelve equivalent MnTb6Mn4Al2 cuboctahedra. All Mn–Mn bond lengths are 2.72 Å. Both Mn–Al bond lengths are 2.67 Å. Al is bonded to six equivalent Tb and six equivalent Mn atoms to form AlTb6Mn6 cuboctahedra that share corners with six equivalent AlTb6Mn6 cuboctahedra, corners with twelve equivalent MnTb6Mn4Al2 cuboctahedra, edges with six equivalent AlTb6Mn6 cuboctahedra, and faces with eighteen equivalent MnTb6Mn4Al2 cuboctahedra.