LiGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form LiGa12 cuboctahedra that share corners with four equivalent Li(1)Ga12 cuboctahedra, edges with eight equivalent Li(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Li4Ga8 cuboctahedra, faces with four equivalent Li(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Li4Ga8 cuboctahedra. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Li(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaLi4Ga8 cuboctahedra that share corners with twelve equivalent Ga(1)Li4Ga8 cuboctahedra, edges with eight equivalent Li(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Li4Ga8 cuboctahedra, faces with four equivalent Li(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(1)Li4Ga8 cuboctahedra. In the second Ga site, Ga(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and eight equivalent Ga(1) atoms.
LiGa3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent Ga(2) and eight equivalent Ga(1) atoms to form LiGa12 cuboctahedra that share corners with four equivalent Li(1)Ga12 cuboctahedra, edges with eight equivalent Li(1)Ga12 cuboctahedra, edges with sixteen equivalent Ga(1)Li4Ga8 cuboctahedra, faces with four equivalent Li(1)Ga12 cuboctahedra, and faces with eight equivalent Ga(1)Li4Ga8 cuboctahedra. All Li(1)-Ga(2) bond lengths are 2.81 Å. All Li(1)-Ga(1) bond lengths are 2.85 Å. There are two inequivalent Ga sites. In the first Ga site, Ga(1) is bonded to four equivalent Li(1), four equivalent Ga(1), and four equivalent Ga(2) atoms to form distorted GaLi4Ga8 cuboctahedra that share corners with twelve equivalent Ga(1)Li4Ga8 cuboctahedra, edges with eight equivalent Li(1)Ga12 cuboctahedra, edges with eight equivalent Ga(1)Li4Ga8 cuboctahedra, faces with four equivalent Li(1)Ga12 cuboctahedra, and faces with ten equivalent Ga(1)Li4Ga8 cuboctahedra. All Ga(1)-Ga(1) bond lengths are 2.81 Å. All Ga(1)-Ga(2) bond lengths are 2.85 Å. In the second Ga site, Ga(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and eight equivalent Ga(1) atoms.