Materials Data on RbLi(H2N)2 by Materials Project

Abstract

RbLi(NH2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to two equivalent N3- and six H1+ atoms. Both Rb–N bond lengths are 2.96 Å. There are a spread of Rb–H bond distances ranging from 2.87–3.05 Å. Li1+ is bonded to four N3- atoms to form a mixture of distorted edge and corner-sharing LiN4 tetrahedra. There are a spread of Li–N bond distances ranging from 2.07–2.21 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded in a distorted water-like geometry to two equivalent Rb1+, one Li1+, and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to four equivalent Rb1+ and 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 Rb1+ and one N3- atom.