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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiH8C4F3 by Materials Project

SiC4H8F3 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two (trifluoromethyl)trimethylsilane molecules. Si4+ is bonded in a tetrahedral geometry to four C+2.25- atoms. There are a spread of Si–C bond distances ranging from 1.84–1.95 Å. There are four inequivalent C+2.25- sites. In the first C+2.25- site, C+2.25- is bonded in a trigonal planar geometry to one Si4+ and two H1+ atoms. There is one shorter (1.09 Å) and one longer (1.10 Å) C–H bond length. In the second C+2.25- site, C+2.25- is bonded to one Si4+ and three F1- atoms to form distorted corner-sharing CSiF3 tetrahedra. There is two shorter (1.38 Å) and one longer (1.39 Å) C–F bond length. In the third C+2.25- site, C+2.25- 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 fourth C+2.25- site, C+2.25- 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 eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C+2.25- atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C+2.25- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C+2.25- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one C+2.25- atom.

36 MATERIALS SCIENCE↗