Materials Data on Mn2Al3 by Materials Project

Abstract

Mn2Al3 is beta-derived structured and crystallizes in the cubic P4_132 space group. The structure is three-dimensional. Mn is bonded to three equivalent Mn and nine equivalent Al atoms to form MnMn3Al9 cuboctahedra that share corners with twelve equivalent AlMn6Al6 cuboctahedra, corners with fifteen equivalent MnMn3Al9 cuboctahedra, edges with six equivalent AlMn6Al6 cuboctahedra, faces with ten equivalent MnMn3Al9 cuboctahedra, and faces with fifteen equivalent AlMn6Al6 cuboctahedra. All Mn–Mn bond lengths are 2.36 Å. There are a spread of Mn–Al bond distances ranging from 2.61–2.73 Å. Al is bonded to six equivalent Mn and six equivalent Al atoms to form distorted AlMn6Al6 cuboctahedra that share corners with eight equivalent MnMn3Al9 cuboctahedra, corners with ten equivalent AlMn6Al6 cuboctahedra, edges with four equivalent MnMn3Al9 cuboctahedra, edges with ten equivalent AlMn6Al6 cuboctahedra, faces with ten equivalent MnMn3Al9 cuboctahedra, and faces with fourteen equivalent AlMn6Al6 cuboctahedra. All Al–Al bond lengths are 2.69 Å.