Materials Data on SiI3 by Materials Project

Abstract

SiI3 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexaiododisilane molecules. there are two inequivalent Si sites. In the first Si site, Si is bonded in a distorted tetrahedral geometry to one Si and three I atoms. The Si–Si bond length is 2.37 Å. All Si–I bond lengths are 2.46 Å. In the second Si site, Si is bonded in a distorted tetrahedral geometry to one Si and three I atoms. All Si–I bond lengths are 2.46 Å. There are four inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one Si atom. In the second I site, I is bonded in a single-bond geometry to one Si atom. In the third I site, I is bonded in a single-bond geometry to one Si atom. In the fourth I site, I is bonded in a single-bond geometry to one Si atom.