Materials Data on MnAl by Materials Project

Abstract

MnAl is Tetraauricupride structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded to four equivalent Mn and eight equivalent Al atoms to form distorted MnMn4Al8 cuboctahedra that share corners with twelve equivalent MnMn4Al8 cuboctahedra, edges with eight equivalent MnMn4Al8 cuboctahedra, edges with sixteen equivalent AlMn8Al4 cuboctahedra, faces with eight equivalent AlMn8Al4 cuboctahedra, and faces with ten equivalent MnMn4Al8 cuboctahedra. All Mn–Mn bond lengths are 2.75 Å. All Mn–Al bond lengths are 2.62 Å. Al is bonded to eight equivalent Mn and four equivalent Al atoms to form AlMn8Al4 cuboctahedra that share corners with twelve equivalent AlMn8Al4 cuboctahedra, edges with eight equivalent AlMn8Al4 cuboctahedra, edges with sixteen equivalent MnMn4Al8 cuboctahedra, faces with eight equivalent MnMn4Al8 cuboctahedra, and faces with ten equivalent AlMn8Al4 cuboctahedra. All Al–Al bond lengths are 2.75 Å.