Materials Data on SnH20C7IN by Materials Project

Abstract

SnC7NH20I is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydriodic acid molecules and four SnC7NH20 clusters. In each SnC7NH20 cluster, Sn4+ is bonded to four C+2.86- atoms to form SnC4 tetrahedra that share a cornercorner with one NC4 tetrahedra. There are a spread of Sn–C bond distances ranging from 2.16–2.22 Å. There are seven inequivalent C+2.86- sites. In the first C+2.86- site, C+2.86- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the second C+2.86- site, C+2.86- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the third C+2.86- site, C+2.86- is bonded in a distorted trigonal non-coplanar geometry to one Sn4+ and three H1+ atoms. All C–H bond lengths are 1.10 Å. In the fourth C+2.86- site, C+2.86- is bonded to one Sn4+, one N3-, and two H1+ atoms to form distorted corner-sharing CSnH2N tetrahedra. The C–N bond length is 1.51 Å. Both C–H bond lengths are 1.10 Å. In the fifth C+2.86- site, C+2.86- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.51 Å. All C–H bond lengths are 1.10 Å. In the sixth C+2.86- site, C+2.86- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.50 Å. All C–H bond lengths are 1.10 Å. In the seventh C+2.86- site, C+2.86- is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.50 Å. There is two shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. N3- is bonded to four C+2.86- atoms to form NC4 tetrahedra that share a cornercorner with one SnC4 tetrahedra. There are twenty inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the eleventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the twelfth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the thirteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the fourteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the fifteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the sixteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the seventeenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the eighteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the nineteenth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom. In the twentieth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.86- atom.