Li15Au4 crystallizes in the cubic I-43d space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to two equivalent Li(2) and three equivalent Au(1) atoms. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Au(1) atoms to form distorted LiLi8Au4 cuboctahedra that share corners with eight equivalent Au(1)Li12 cuboctahedra, edges with eight equivalent Li(2)Li8Au4 cuboctahedra, and faces with four equivalent Au(1)Li12 cuboctahedra. Au(1) is bonded to three equivalent Li(2) and nine equivalent Li(1) atoms to form distorted AuLi12 cuboctahedra that share corners with six equivalent Li(2)Li8Au4 cuboctahedra, edges with six equivalent Au(1)Li12 cuboctahedra, faces with three equivalent Li(2)Li8Au4 cuboctahedra, and faces with five equivalent Au(1)Li12 cuboctahedra.
Li15Au4 crystallizes in the cubic I-43d space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to two equivalent Li(2) and three equivalent Au(1) atoms. There is one shorter (2.78 Å) and one longer (2.79 Å) Li(1)-Li(2) bond length. There are a spread of Li(1)-Au(1) bond distances ranging from 2.64-2.83 Å. In the second Li site, Li(2) is bonded to eight equivalent Li(1) and four equivalent Au(1) atoms to form distorted LiLi8Au4 cuboctahedra that share corners with eight equivalent Au(1)Li12 cuboctahedra, edges with eight equivalent Li(2)Li8Au4 cuboctahedra, and faces with four equivalent Au(1)Li12 cuboctahedra. All Li(2)-Au(1) bond lengths are 2.89 Å. Au(1) is bonded to three equivalent Li(2) and nine equivalent Li(1) atoms to form distorted AuLi12 cuboctahedra that share corners with six equivalent Li(2)Li8Au4 cuboctahedra, edges with six equivalent Au(1)Li12 cuboctahedra, faces with three equivalent Li(2)Li8Au4 cuboctahedra, and faces with five equivalent Au(1)Li12 cuboctahedra.