Li3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2) and four equivalent Cd(1) atoms to form distorted LiLi4Cd4 cuboctahedra that share corners with eight equivalent Li(1)Li4Cd4 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, edges with four equivalent Li(2)Li8Cd4 cuboctahedra, edges with four equivalent Cd(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li4Cd4 cuboctahedra, and faces with six equivalent Li(1)Li4Cd4 cuboctahedra. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Cd(1) atoms to form LiLi8Cd4 cuboctahedra that share corners with four equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(2)Li8Cd4 cuboctahedra, faces with four equivalent Li(2)Li8Cd4 cuboctahedra, and faces with six equivalent Cd(1)Li12 cuboctahedra. Cd(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form CdLi12 cuboctahedra that share corners with four equivalent Cd(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Cd(1)Li12 cuboctahedra, faces with four equivalent Cd(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Cd4 cuboctahedra.
Li3Cd is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2) and four equivalent Cd(1) atoms to form distorted LiLi4Cd4 cuboctahedra that share corners with eight equivalent Li(1)Li4Cd4 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, edges with four equivalent Li(2)Li8Cd4 cuboctahedra, edges with four equivalent Cd(1)Li12 cuboctahedra, edges with twelve equivalent Li(1)Li4Cd4 cuboctahedra, and faces with six equivalent Li(1)Li4Cd4 cuboctahedra. All Li(1)-Li(2) bond lengths are 2.92 Å. All Li(1)-Cd(1) bond lengths are 2.92 Å. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Cd(1) atoms to form LiLi8Cd4 cuboctahedra that share corners with four equivalent Li(2)Li8Cd4 cuboctahedra, corners with eight equivalent Cd(1)Li12 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(2)Li8Cd4 cuboctahedra, faces with four equivalent Li(2)Li8Cd4 cuboctahedra, and faces with six equivalent Cd(1)Li12 cuboctahedra. All Li(2)-Cd(1) bond lengths are 3.02 Å. Cd(1) is bonded to four equivalent Li(2) and eight equivalent Li(1) atoms to form CdLi12 cuboctahedra that share corners with four equivalent Cd(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li8Cd4 cuboctahedra, corners with sixteen equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Li(1)Li4Cd4 cuboctahedra, edges with eight equivalent Cd(1)Li12 cuboctahedra, faces with four equivalent Cd(1)Li12 cuboctahedra, and faces with six equivalent Li(2)Li8Cd4 cuboctahedra.