Materials Data on RbAl(H2N)4 by Materials Project

Abstract

RbAl(NH2)4 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Rb1+ is bonded to twelve H1+ atoms to form distorted face-sharing RbH12 cuboctahedra. There are a spread of Rb–H bond distances ranging from 2.90–3.16 Å. Al3+ is bonded in a tetrahedral geometry to four equivalent N3- atoms. All Al–N bond lengths are 1.89 Å. N3- is bonded in a distorted trigonal non-coplanar geometry to one Al3+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom.