Materials Data on Mn2Cu3Ge by Materials Project

Abstract

Mn2Cu3Ge is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to four equivalent Mn, nine equivalent Cu, and three equivalent Ge atoms. There are one shorter (2.96 Å) and three longer (2.98 Å) Mn–Mn bond lengths. There are three shorter (2.77 Å) and six longer (2.86 Å) Mn–Cu bond lengths. All Mn–Ge bond lengths are 2.87 Å. Cu is bonded to six equivalent Mn, four equivalent Cu, and two equivalent Ge atoms to form CuMn6Cu4Ge2 cuboctahedra that share corners with four equivalent GeMn6Cu6 cuboctahedra, corners with fourteen equivalent CuMn6Cu4Ge2 cuboctahedra, edges with six equivalent CuMn6Cu4Ge2 cuboctahedra, faces with six equivalent GeMn6Cu6 cuboctahedra, and faces with twelve equivalent CuMn6Cu4Ge2 cuboctahedra. There are two shorter (2.37 Å) and two longer (2.53 Å) Cu–Cu bond lengths. Both Cu–Ge bond lengths are 2.43 Å. Ge is bonded to six equivalent Mn and six equivalent Cu atoms to form GeMn6Cu6 cuboctahedra that share corners with twelve equivalent CuMn6Cu4Ge2 cuboctahedra, edges with six equivalent GeMn6Cu6 cuboctahedra, faces with two equivalent GeMn6Cu6 cuboctahedra, and faces with eighteen equivalent CuMn6Cu4Ge2 cuboctahedra.