Materials Data on RbLi2(H2N)3 by Materials Project

Abstract

RbLi2(NH2)3 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two RbLi2(NH2)3 ribbons oriented in the (0, 0, 1) direction. Rb1+ is bonded in a 2-coordinate geometry to two equivalent H1+ atoms. Both Rb–H bond lengths are 2.73 Å. Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.08 Å) and two longer (2.14 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a water-like geometry to four equivalent Li1+ and two equivalent H1+ atoms. Both N–H bond lengths are 1.03 Å. In the second N3- site, N3- is bonded to two equivalent Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are three 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 Rb1+ and one N3- atom.