Materials Data on Rb2Sn2H3N by Materials Project

Abstract

Rb2NH3(Sn)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of sixteen 7440-31-5 molecules and eight Rb2NH3 clusters. In four of the Rb2NH3 clusters, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- and two H1- atoms. The Rb–N bond length is 3.18 Å. There are one shorter (3.13 Å) and one longer (3.15 Å) Rb–H bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- atom. The Rb–N bond length is 3.05 Å. N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H1- atoms. There is two shorter (1.03 Å) and one longer (1.04 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 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. In the third H1- site, H1- is bonded in a single-bond geometry to one N3- atom. In four of the Rb2NH3 clusters, there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 1-coordinate geometry to one N3- and one H1- atom. The Rb–N bond length is 3.37 Å. The Rb–H bond length is 3.22 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to one N3- and one H1- atom. The Rb–N bond length is 3.08 Å. The Rb–H bond length is 3.11 Å. N3- is bonded in a trigonal non-coplanar geometry to two Rb1+ and three H1- atoms. All 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 one 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.