Materials Data on Mg(H2N)2 by Materials Project

Abstract

Mg(NH2)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Mg(NH2)2 frameworks. Mg2+ is bonded to four N3- atoms to form corner-sharing MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and two H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent H1+ atoms to form distorted corner-sharing NMg2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom.