DOE OSTI2020
RbLi2(NH2)3 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one RbLi2(NH2)3 ribbon oriented in the (1, 0, 0) direction. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ atoms. There are one shorter (2.79 Å) and one longer (2.80 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to two H1+ atoms. There are one shorter (2.74 Å) and one longer (2.77 Å) Rb–H bond lengths. There are four inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and one H1+ atom. There are a spread of Li–N bond distances ranging from 2.06–2.17 Å. The Li–H bond length is 2.21 Å. In the second Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and one H1+ atom. There are a spread of Li–N bond distances ranging from 2.06–2.17 Å. The Li–H bond length is 2.21 Å. In the third Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- and two H1+ atoms. There are a spread of Li–N bond distances ranging from 2.06–2.15 Å. There are one shorter (2.20 Å) and one longer (2.28 Å) Li–H bond lengths. In the fourth Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four N3- atoms. There are a spread of Li–N bond distances ranging from 2.05–2.16 Å. There are six inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted water-like geometry to four 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 four Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. In the third N3- site, N3- is bonded to two Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the fourth N3- site, N3- is bonded to two Li1+ and two H1+ atoms to form distorted corner-sharing NLi2H2 tetrahedra. Both N–H bond lengths are 1.03 Å. In the fifth N3- site, N3- is bonded in a distorted tetrahedral geometry to two Li1+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the sixth N3- site, N3- is bonded in a 2-coordinate geometry to two Li1+ and two H1+ atoms. Both N–H bond lengths are 1.03 Å. There are twelve inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Li1+ and one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to two Li1+ and one N3- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one Rb1+ and one N3- atom.