Materials Data on SiH9C4F3 by Materials Project
(CH3)3SiCF3 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two (trifluoromethyl)trimethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C+2.50- atoms. There is three shorter (1.87 Å) and one longer (1.96 Å) Si–C bond length. There are three inequivalent C+2.50- sites. In the first C+2.50- site, C+2.50- is bonded to one Si4+ and three F1- atoms to form distorted corner-sharing CSiF3 tetrahedra. All C–F bond lengths are 1.38 Å. In the second C+2.50- site, C+2.50- is bonded to one Si4+ and three H1+ atoms to form corner-sharing CSiH3 tetrahedra. All C–H bond lengths are 1.10 Å. In the third C+2.50- site, C+2.50- 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 five inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.50- atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+2.50- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+2.50- atom.