Materials Data on Si(H3C)4 by Materials Project

Abstract

Si(CH3)4 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight tetramethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C4- atoms. All Si–C bond lengths are 1.89 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to one Si4+ and three equivalent H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the second C4- site, C4- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C4- atom.