Li3BN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. In the second Li site, Li(2) is bonded to four equivalent N(1) atoms to form a mixture of corner and edge-sharing LiN4 tetrahedra. B(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Li(2), and one B(1) atom.
Li3BN2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 2-coordinate geometry to two equivalent N(1) atoms. Both Li(1)-N(1) bond lengths are 1.99 Å. In the second Li site, Li(2) is bonded to four equivalent N(1) atoms to form a mixture of corner and edge-sharing LiN4 tetrahedra. There are two shorter (2.10 Å) and two longer (2.17 Å) Li(2)-N(1) bond lengths. B(1) is bonded in a linear geometry to two equivalent N(1) atoms. Both B(1)-N(1) bond lengths are 1.35 Å. N(1) is bonded in a 6-coordinate geometry to one Li(1), four equivalent Li(2), and one B(1) atom.