Materials Data on MnAlIr by Materials Project

Abstract

IrMnAl is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mn is bonded to four equivalent Ir atoms to form MnIr4 tetrahedra that share corners with four equivalent AlIr4 tetrahedra, corners with twelve equivalent MnIr4 tetrahedra, and edges with six equivalent AlIr4 tetrahedra. All Mn–Ir bond lengths are 2.56 Å. Ir is bonded in a body-centered cubic geometry to four equivalent Mn and four equivalent Al atoms. All Ir–Al bond lengths are 2.56 Å. Al is bonded to four equivalent Ir atoms to form AlIr4 tetrahedra that share corners with four equivalent MnIr4 tetrahedra, corners with twelve equivalent AlIr4 tetrahedra, and edges with six equivalent MnIr4 tetrahedra.