Li2NH crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to three equivalent N(1) and two equivalent H(1) atoms. N(1) is bonded in a distorted single-bond geometry to three equivalent Li(2), four equivalent Li(1), and one H(1) atom. H(1) is bonded in a single-bond geometry to two equivalent Li(2) and one N(1) atom.
Li2NH crystallizes in the orthorhombic Pnma space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to four equivalent N(1) atoms. There are a spread of Li(1)-N(1) bond distances ranging from 2.14-2.32 Å. In the second Li site, Li(2) is bonded in a 5-coordinate geometry to three equivalent N(1) and two equivalent H(1) atoms. There is one shorter (1.90 Å) and two longer (2.09 Å) Li(2)-N(1) bond lengths. Both Li(2)-H(1) bond lengths are 2.05 Å. N(1) is bonded in a distorted single-bond geometry to three equivalent Li(2), four equivalent Li(1), and one H(1) atom. The N(1)-H(1) bond length is 1.03 Å. H(1) is bonded in a single-bond geometry to two equivalent Li(2) and one N(1) atom.