Materials Data on GaNi2Pt by Materials Project

Abstract

PtNi2Ga is beta Cu3Ti-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Pt is bonded to eight equivalent Ni and four equivalent Ga atoms to form PtGa4Ni8 cuboctahedra that share corners with twelve equivalent PtGa4Ni8 cuboctahedra, edges with eight equivalent GaNi8Pt4 cuboctahedra, edges with sixteen equivalent NiGa4Ni4Pt4 cuboctahedra, faces with four equivalent GaNi8Pt4 cuboctahedra, faces with six equivalent PtGa4Ni8 cuboctahedra, and faces with eight equivalent NiGa4Ni4Pt4 cuboctahedra. All Pt–Ni bond lengths are 2.63 Å. All Pt–Ga bond lengths are 2.63 Å. Ni is bonded to four equivalent Pt, four equivalent Ni, and four equivalent Ga atoms to form NiGa4Ni4Pt4 cuboctahedra that share corners with twelve equivalent NiGa4Ni4Pt4 cuboctahedra, edges with eight equivalent PtGa4Ni8 cuboctahedra, edges with eight equivalent NiGa4Ni4Pt4 cuboctahedra, edges with eight equivalent GaNi8Pt4 cuboctahedra, faces with four equivalent PtGa4Ni8 cuboctahedra, faces with four equivalent GaNi8Pt4 cuboctahedra, and faces with ten equivalent NiGa4Ni4Pt4 cuboctahedra. All Ni–Ni bond lengths are 2.63 Å. All Ni–Ga bond lengths are 2.63 Å. Ga is bonded to four equivalent Pt and eight equivalent Ni atoms to form GaNi8Pt4 cuboctahedra that share corners with twelve equivalent GaNi8Pt4 cuboctahedra, edges with eight equivalent PtGa4Ni8 cuboctahedra, edges with sixteen equivalent NiGa4Ni4Pt4 cuboctahedra, faces with four equivalent PtGa4Ni8 cuboctahedra, faces with six equivalent GaNi8Pt4 cuboctahedra, and faces with eight equivalent NiGa4Ni4Pt4 cuboctahedra.