NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a 14-coordinate geometry to eight equivalent Li(1) and six equivalent N(1) atoms. Li(1) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form a mixture of distorted edge, face, and corner-sharing LiNa4N4 tetrahedra. N(1) is bonded in a distorted body-centered cubic geometry to six equivalent Na(1) and eight equivalent Li(1) atoms.
NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. Na(1) is bonded in a 14-coordinate geometry to eight equivalent Li(1) and six equivalent N(1) atoms. All Na(1)-Li(1) bond lengths are 2.35 Å. All Na(1)-N(1) bond lengths are 2.71 Å. Li(1) is bonded to four equivalent Na(1) and four equivalent N(1) atoms to form a mixture of distorted edge, face, and corner-sharing LiNa4N4 tetrahedra. All Li(1)-N(1) bond lengths are 2.35 Å. N(1) is bonded in a distorted body-centered cubic geometry to six equivalent Na(1) and eight equivalent Li(1) atoms.