DOE OSTI2020
Co2NiGa is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Co is bonded to four equivalent Co, four equivalent Ni, and four equivalent Ga atoms to form CoGa4Co4Ni4 cuboctahedra that share corners with twelve equivalent CoGa4Co4Ni4 cuboctahedra, edges with eight equivalent CoGa4Co4Ni4 cuboctahedra, edges with eight equivalent NiGa4Co8 cuboctahedra, edges with eight equivalent GaCo8Ni4 cuboctahedra, faces with four equivalent NiGa4Co8 cuboctahedra, faces with four equivalent GaCo8Ni4 cuboctahedra, and faces with ten equivalent CoGa4Co4Ni4 cuboctahedra. All Co–Co bond lengths are 2.54 Å. All Co–Ni bond lengths are 2.53 Å. All Co–Ga bond lengths are 2.53 Å. Ni is bonded to eight equivalent Co and four equivalent Ga atoms to form NiGa4Co8 cuboctahedra that share corners with four equivalent NiGa4Co8 cuboctahedra, corners with eight equivalent GaCo8Ni4 cuboctahedra, edges with eight equivalent NiGa4Co8 cuboctahedra, edges with sixteen equivalent CoGa4Co4Ni4 cuboctahedra, faces with four equivalent NiGa4Co8 cuboctahedra, faces with six equivalent GaCo8Ni4 cuboctahedra, and faces with eight equivalent CoGa4Co4Ni4 cuboctahedra. All Ni–Ga bond lengths are 2.54 Å. Ga is bonded to eight equivalent Co and four equivalent Ni atoms to form GaCo8Ni4 cuboctahedra that share corners with four equivalent GaCo8Ni4 cuboctahedra, corners with eight equivalent NiGa4Co8 cuboctahedra, edges with eight equivalent GaCo8Ni4 cuboctahedra, edges with sixteen equivalent CoGa4Co4Ni4 cuboctahedra, faces with four equivalent GaCo8Ni4 cuboctahedra, faces with six equivalent NiGa4Co8 cuboctahedra, and faces with eight equivalent CoGa4Co4Ni4 cuboctahedra.