Li2PdGa crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Pd(1) and four equivalent Ga(1) atoms to form distorted LiGa4Pd6 tetrahedra that share corners with six equivalent Li(1)Ga4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, faces with four equivalent Li(2)Pd4 tetrahedra, and faces with twelve equivalent Li(1)Ga4Pd6 tetrahedra. In the second Li site, Li(2) is bonded to four equivalent Pd(1) atoms to form distorted LiPd4 tetrahedra that share corners with twelve equivalent Li(1)Ga4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, and faces with four equivalent Li(1)Ga4Pd6 tetrahedra. Pd(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 Pd(1) atoms.
Li2PdGa crystallizes in the cubic F-43m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to six equivalent Pd(1) and four equivalent Ga(1) atoms to form distorted LiGa4Pd6 tetrahedra that share corners with six equivalent Li(1)Ga4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, faces with four equivalent Li(2)Pd4 tetrahedra, and faces with twelve equivalent Li(1)Ga4Pd6 tetrahedra. All Li(1)-Pd(1) bond lengths are 3.02 Å. All Li(1)-Ga(1) bond lengths are 2.61 Å. In the second Li site, Li(2) is bonded to four equivalent Pd(1) atoms to form distorted LiPd4 tetrahedra that share corners with twelve equivalent Li(1)Ga4Pd6 tetrahedra, corners with twelve equivalent Li(2)Pd4 tetrahedra, and faces with four equivalent Li(1)Ga4Pd6 tetrahedra. All Li(2)-Pd(1) bond lengths are 2.61 Å. Pd(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 Pd(1)-Ga(1) bond lengths are 2.61 Å. Ga(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(1) and four equivalent Pd(1) atoms.