Materials Data on MnFe by Materials Project

Abstract

FeMn 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 Fe atoms to form MnMn4Fe8 cuboctahedra that share corners with twelve equivalent MnMn4Fe8 cuboctahedra, edges with eight equivalent MnMn4Fe8 cuboctahedra, edges with sixteen equivalent FeMn8Fe4 cuboctahedra, faces with eight equivalent FeMn8Fe4 cuboctahedra, and faces with ten equivalent MnMn4Fe8 cuboctahedra. All Mn–Mn bond lengths are 2.46 Å. All Mn–Fe bond lengths are 2.46 Å. Fe is bonded to eight equivalent Mn and four equivalent Fe atoms to form FeMn8Fe4 cuboctahedra that share corners with twelve equivalent FeMn8Fe4 cuboctahedra, edges with eight equivalent FeMn8Fe4 cuboctahedra, edges with sixteen equivalent MnMn4Fe8 cuboctahedra, faces with eight equivalent MnMn4Fe8 cuboctahedra, and faces with ten equivalent FeMn8Fe4 cuboctahedra. All Fe–Fe bond lengths are 2.46 Å.