Materials Data on MnCu3 by Materials Project

Abstract

Cu3Mn is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to twelve equivalent Cu atoms to form MnCu12 cuboctahedra that share corners with six equivalent MnCu12 cuboctahedra, corners with twelve equivalent CuMn4Cu8 cuboctahedra, edges with eighteen equivalent CuMn4Cu8 cuboctahedra, faces with eight equivalent MnCu12 cuboctahedra, and faces with twelve equivalent CuMn4Cu8 cuboctahedra. All Mn–Cu bond lengths are 2.60 Å. Cu is bonded to four equivalent Mn and eight equivalent Cu atoms to form CuMn4Cu8 cuboctahedra that share corners with four equivalent MnCu12 cuboctahedra, corners with fourteen equivalent CuMn4Cu8 cuboctahedra, edges with six equivalent MnCu12 cuboctahedra, edges with twelve equivalent CuMn4Cu8 cuboctahedra, faces with four equivalent MnCu12 cuboctahedra, and faces with sixteen equivalent CuMn4Cu8 cuboctahedra. There are six shorter (2.59 Å) and two longer (2.61 Å) Cu–Cu bond lengths.