LiNH2 crystallizes in the tetragonal I-4 space group. There are three 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 6-coordinate geometry to four equivalent N(1) and two equivalent H(1) atoms. In the third Li site, Li(3) is bonded to four equivalent N(1) atoms to form corner-sharing LiN4 tetrahedra. N(1) is bonded in a distorted water-like geometry to one Li(1), one Li(3), two equivalent Li(2), one H(1), and one H(2) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Li(2) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom.
LiNH2 crystallizes in the tetragonal I-4 space group. There are three 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. All Li(1)-N(1) bond lengths are 2.18 Å. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to four equivalent N(1) and two equivalent H(1) atoms. There are two shorter (2.03 Å) and two longer (2.19 Å) Li(2)-N(1) bond lengths. Both Li(2)-H(1) bond lengths are 2.16 Å. In the third Li site, Li(3) is bonded to four equivalent N(1) atoms to form corner-sharing LiN4 tetrahedra. All Li(3)-N(1) bond lengths are 2.04 Å. N(1) is bonded in a distorted water-like geometry to one Li(1), one Li(3), two equivalent Li(2), one H(1), and one H(2) atom. The N(1)-H(1) bond length is 1.02 Å. The N(1)-H(2) bond length is 1.02 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Li(2) and one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom.