Li3VN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form distorted corner-sharing LiN4 tetrahedra. In the second Li site, Li(2) is bonded in a water-like geometry to two equivalent N(1) atoms. V(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. N(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one V(1) atom.
Li3VN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent N(1) atoms to form distorted corner-sharing LiN4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.41 Å) Li(1)-N(1) bond lengths. In the second Li site, Li(2) is bonded in a water-like geometry to two equivalent N(1) atoms. Both Li(2)-N(1) bond lengths are 1.92 Å. V(1) is bonded in a bent 120 degrees geometry to two equivalent N(1) atoms. Both V(1)-N(1) bond lengths are 1.71 Å. N(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one V(1) atom.