DOE OSTI2020
Rh3Ga is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to eight Rh and four equivalent Ga atoms to form distorted RhGa4Rh8 cuboctahedra that share corners with twelve equivalent RhGa4Rh8 cuboctahedra, edges with eight equivalent GaRh12 cuboctahedra, edges with sixteen RhGa4Rh8 cuboctahedra, faces with four equivalent GaRh12 cuboctahedra, and faces with fourteen RhGa4Rh8 cuboctahedra. There are four shorter (2.71 Å) and four longer (2.75 Å) Rh–Rh bond lengths. All Rh–Ga bond lengths are 2.71 Å. In the second Rh site, Rh is bonded to eight equivalent Rh and four equivalent Ga atoms to form RhGa4Rh8 cuboctahedra that share corners with four equivalent RhGa4Rh8 cuboctahedra, corners with eight equivalent GaRh12 cuboctahedra, edges with twenty-four RhGa4Rh8 cuboctahedra, faces with six equivalent GaRh12 cuboctahedra, and faces with twelve RhGa4Rh8 cuboctahedra. All Rh–Ga bond lengths are 2.75 Å. Ga is bonded to twelve Rh atoms to form GaRh12 cuboctahedra that share corners with four equivalent GaRh12 cuboctahedra, corners with eight equivalent RhGa4Rh8 cuboctahedra, edges with eight equivalent GaRh12 cuboctahedra, edges with sixteen equivalent RhGa4Rh8 cuboctahedra, faces with four equivalent GaRh12 cuboctahedra, and faces with fourteen RhGa4Rh8 cuboctahedra.