Ho4FeGa12 crystallizes in the cubic Im-3m space group. Ho(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent Ho(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with six equivalent Ho(1)Ga12 cuboctahedra, faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra, and faces with two equivalent Fe(1)Ga6 octahedra. Fe(1) is bonded to six equivalent Ga(2) atoms to form FeGa6 octahedra that share corners with twenty-four equivalent Ga(1)Ho4Ga8 cuboctahedra and faces with eight equivalent Ho(1)Ga12 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ho(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Ho4Ga8 cuboctahedra, corners with four equivalent Fe(1)Ga6 octahedra, edges with eight equivalent Ho(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with four equivalent Ho(1)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one Fe(1), and four equivalent Ga(1) atoms.
Ho4FeGa12 crystallizes in the cubic Im-3m space group. Ho(1) is bonded to six equivalent Ga(1) and six equivalent Ga(2) atoms to form HoGa12 cuboctahedra that share corners with twelve equivalent Ho(1)Ga12 cuboctahedra, edges with twelve equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with six equivalent Ho(1)Ga12 cuboctahedra, faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra, and faces with two equivalent Fe(1)Ga6 octahedra. All Ho(1)-Ga(1) bond lengths are 3.00 Å. All Ho(1)-Ga(2) bond lengths are 3.02 Å. Fe(1) is bonded to six equivalent Ga(2) atoms to form FeGa6 octahedra that share corners with twenty-four equivalent Ga(1)Ho4Ga8 cuboctahedra and faces with eight equivalent Ho(1)Ga12 cuboctahedra. All Fe(1)-Ga(2) bond lengths are 2.46 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Ho(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaHo4Ga8 cuboctahedra that share corners with four equivalent Ga(1)Ho4Ga8 cuboctahedra, corners with four equivalent Fe(1)Ga6 octahedra, edges with eight equivalent Ho(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Ho4Ga8 cuboctahedra, faces with four equivalent Ho(1)Ga12 cuboctahedra, and faces with six equivalent Ga(1)Ho4Ga8 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. All Ga(1)-Ga(1) bond lengths are 3.00 Å. All Ga(1)-Ga(2) bond lengths are 2.78 Å. In the second Ga site, Ga(2) is bonded in a 9-coordinate geometry to four equivalent Ho(1), one Fe(1), and four equivalent Ga(1) atoms.