Li2NH crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent N(1) and one H(1) atom to form corner-sharing LiHN3 trigonal pyramids. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one N(1) and three equivalent H(1) atoms. N(1) is bonded in a distorted single-bond geometry to one Li(2), three equivalent Li(1), and one H(1) atom. H(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Li(2), and one N(1) atom.
Li2NH crystallizes in the trigonal R3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to three equivalent N(1) and one H(1) atom to form corner-sharing LiHN3 trigonal pyramids. All Li(1)-N(1) bond lengths are 2.09 Å. The Li(1)-H(1) bond length is 1.76 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one N(1) and three equivalent H(1) atoms. The Li(2)-N(1) bond length is 2.07 Å. All Li(2)-H(1) bond lengths are 2.08 Å. N(1) is bonded in a distorted single-bond geometry to one Li(2), three 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 distorted single-bond geometry to one Li(1), three equivalent Li(2), and one N(1) atom.