Li2AuGa crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2), six equivalent Au(1), and four equivalent Ga(1) atoms to form distorted LiLi4Ga4Au6 tetrahedra that share corners with six equivalent Li(1)Li4Ga4Au6 tetrahedra, corners with twelve equivalent Li(2)Li4Au4 tetrahedra, faces with four equivalent Li(2)Li4Au4 tetrahedra, and faces with twelve equivalent Li(1)Li4Ga4Au6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Au(1) atoms to form distorted LiLi4Au4 tetrahedra that share corners with twelve equivalent Li(1)Li4Ga4Au6 tetrahedra, edges with twelve equivalent Li(2)Li4Au4 tetrahedra, and faces with four equivalent Li(1)Li4Ga4Au6 tetrahedra. Au(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Ga(1) atoms. Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Au(1) atoms.
Li2AuGa crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2), six equivalent Au(1), and four equivalent Ga(1) atoms to form distorted LiLi4Ga4Au6 tetrahedra that share corners with six equivalent Li(1)Li4Ga4Au6 tetrahedra, corners with twelve equivalent Li(2)Li4Au4 tetrahedra, faces with four equivalent Li(2)Li4Au4 tetrahedra, and faces with twelve equivalent Li(1)Li4Ga4Au6 tetrahedra. All Li(1)-Li(2) bond lengths are 2.67 Å. All Li(1)-Au(1) bond lengths are 3.08 Å. All Li(1)-Ga(1) bond lengths are 2.67 Å. In the second Li site, Li(2) is bonded to four equivalent Li(1) and four equivalent Au(1) atoms to form distorted LiLi4Au4 tetrahedra that share corners with twelve equivalent Li(1)Li4Ga4Au6 tetrahedra, edges with twelve equivalent Li(2)Li4Au4 tetrahedra, and faces with four equivalent Li(1)Li4Ga4Au6 tetrahedra. All Li(2)-Au(1) bond lengths are 2.67 Å. Au(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2), six equivalent Li(1), and four equivalent Ga(1) atoms. All Au(1)-Ga(1) bond lengths are 2.67 Å. Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Au(1) atoms.