Materials Data on MnGaNi2 by Materials Project

Abstract

Ni2MnGa crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mn is bonded to eight equivalent Ni and four equivalent Ga atoms to form MnGa4Ni8 cuboctahedra that share corners with twelve equivalent MnGa4Ni8 cuboctahedra, edges with eight equivalent GaMn4Ni8 cuboctahedra, edges with sixteen equivalent NiMn4Ga4Ni4 cuboctahedra, faces with four equivalent GaMn4Ni8 cuboctahedra, faces with six equivalent MnGa4Ni8 cuboctahedra, and faces with eight equivalent NiMn4Ga4Ni4 cuboctahedra. All Mn–Ni bond lengths are 2.56 Å. All Mn–Ga bond lengths are 2.65 Å. Ni is bonded to four equivalent Mn, four equivalent Ni, and four equivalent Ga atoms to form distorted NiMn4Ga4Ni4 cuboctahedra that share corners with twelve equivalent NiMn4Ga4Ni4 cuboctahedra, edges with eight equivalent MnGa4Ni8 cuboctahedra, edges with eight equivalent NiMn4Ga4Ni4 cuboctahedra, edges with eight equivalent GaMn4Ni8 cuboctahedra, faces with four equivalent MnGa4Ni8 cuboctahedra, faces with four equivalent GaMn4Ni8 cuboctahedra, and faces with ten equivalent NiMn4Ga4Ni4 cuboctahedra. All Ni–Ni bond lengths are 2.65 Å. All Ni–Ga bond lengths are 2.56 Å. Ga is bonded to four equivalent Mn and eight equivalent Ni atoms to form GaMn4Ni8 cuboctahedra that share corners with twelve equivalent GaMn4Ni8 cuboctahedra, edges with eight equivalent MnGa4Ni8 cuboctahedra, edges with sixteen equivalent NiMn4Ga4Ni4 cuboctahedra, faces with four equivalent MnGa4Ni8 cuboctahedra, faces with six equivalent GaMn4Ni8 cuboctahedra, and faces with eight equivalent NiMn4Ga4Ni4 cuboctahedra.