Na2LiN crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 13-coordinate geometry to four equivalent Na(2), four equivalent Li(1), and five equivalent N(1) atoms. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form distorted NaNa4N4 tetrahedra that share corners with eight equivalent Li(1)Na4N4 tetrahedra, edges with four equivalent Na(2)Na4N4 tetrahedra, edges with eight equivalent Li(1)Na4N4 tetrahedra, faces with two equivalent Li(1)Na4N4 tetrahedra, and faces with four equivalent Na(2)Na4N4 tetrahedra. Li(1) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form distorted LiNa4N4 tetrahedra that share corners with eight equivalent Na(2)Na4N4 tetrahedra, edges with four equivalent Li(1)Na4N4 tetrahedra, edges with eight equivalent Na(2)Na4N4 tetrahedra, faces with two equivalent Na(2)Na4N4 tetrahedra, and faces with four equivalent Li(1)Na4N4 tetrahedra. N(1) is bonded in a 13-coordinate geometry to four equivalent Na(2), five equivalent Na(1), and four equivalent Li(1) atoms.
Na2LiN crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded in a 13-coordinate geometry to four equivalent Na(2), four equivalent Li(1), and five equivalent N(1) atoms. All Na(1)-Na(2) bond lengths are 2.74 Å. All Na(1)-Li(1) bond lengths are 2.39 Å. There is one shorter (2.51 Å) and four longer (2.89 Å) Na(1)-N(1) bond lengths. In the second Na site, Na(2) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form distorted NaNa4N4 tetrahedra that share corners with eight equivalent Li(1)Na4N4 tetrahedra, edges with four equivalent Na(2)Na4N4 tetrahedra, edges with eight equivalent Li(1)Na4N4 tetrahedra, faces with two equivalent Li(1)Na4N4 tetrahedra, and faces with four equivalent Na(2)Na4N4 tetrahedra. All Na(2)-N(1) bond lengths are 2.72 Å. Li(1) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form distorted LiNa4N4 tetrahedra that share corners with eight equivalent Na(2)Na4N4 tetrahedra, edges with four equivalent Li(1)Na4N4 tetrahedra, edges with eight equivalent Na(2)Na4N4 tetrahedra, faces with two equivalent Na(2)Na4N4 tetrahedra, and faces with four equivalent Li(1)Na4N4 tetrahedra. All Li(1)-N(1) bond lengths are 2.40 Å. N(1) is bonded in a 13-coordinate geometry to four equivalent Na(2), five equivalent Na(1), and four equivalent Li(1) atoms.