NaLi3 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve equivalent Li(1) atoms to form a mixture of face and corner-sharing NaLi12 cuboctahedra. Li(1) is bonded in a 10-coordinate geometry to four equivalent Na(1) and six equivalent Li(1) atoms.
NaLi3 crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to twelve equivalent Li(1) atoms to form a mixture of face and corner-sharing NaLi12 cuboctahedra. There are six shorter (3.27 Å) and six longer (3.34 Å) Na(1)-Li(1) bond lengths. Li(1) is bonded in a 10-coordinate geometry to four equivalent Na(1) and six equivalent Li(1) atoms. There are two shorter (3.14 Å) and four longer (3.25 Å) Li(1)-Li(1) bond lengths.