LiTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded to twelve equivalent Tl(1) atoms to form LiTl12 cuboctahedra that share corners with twelve equivalent Li(1)Tl12 cuboctahedra, edges with twenty-four equivalent Tl(1)Li4Tl8 cuboctahedra, faces with six equivalent Li(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Li4Tl8 cuboctahedra. Tl(1) is bonded to four equivalent Li(1) and eight equivalent Tl(1) atoms to form distorted TlLi4Tl8 cuboctahedra that share corners with twelve equivalent Tl(1)Li4Tl8 cuboctahedra, edges with eight equivalent Li(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Li4Tl8 cuboctahedra, faces with four equivalent Li(1)Tl12 cuboctahedra, and faces with fourteen equivalent Tl(1)Li4Tl8 cuboctahedra.
LiTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. Li(1) is bonded to twelve equivalent Tl(1) atoms to form LiTl12 cuboctahedra that share corners with twelve equivalent Li(1)Tl12 cuboctahedra, edges with twenty-four equivalent Tl(1)Li4Tl8 cuboctahedra, faces with six equivalent Li(1)Tl12 cuboctahedra, and faces with twelve equivalent Tl(1)Li4Tl8 cuboctahedra. All Li(1)-Tl(1) bond lengths are 3.32 Å. Tl(1) is bonded to four equivalent Li(1) and eight equivalent Tl(1) atoms to form distorted TlLi4Tl8 cuboctahedra that share corners with twelve equivalent Tl(1)Li4Tl8 cuboctahedra, edges with eight equivalent Li(1)Tl12 cuboctahedra, edges with sixteen equivalent Tl(1)Li4Tl8 cuboctahedra, faces with four equivalent Li(1)Tl12 cuboctahedra, and faces with fourteen equivalent Tl(1)Li4Tl8 cuboctahedra. All Tl(1)-Tl(1) bond lengths are 3.32 Å.