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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SiI3 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiI2 by Materials Project

SiI2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four decaiodocyclopentasilane molecules. there are five inequivalent Si4- sites. In the first Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. There are one shorter (2.41 Å) and one longer (2.42 Å) Si–Si bond lengths. Both Si–I bond lengths are 2.46 Å. In the second Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.39 Å. Both Si–I bond lengths are 2.46 Å. In the third Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.38 Å. Both Si–I bond lengths are 2.46 Å. In the fourth Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. The Si–Si bond length is 2.40 Å. Both Si–I bond lengths are 2.46 Å. In the fifth Si4- site, Si4- is bonded to two Si4- and two I2+ atoms to form distorted corner-sharing SiSi2I2 tetrahedra. There are one shorter (2.46 Å) and one longer (2.47 Å) Si–I bond lengths. There are ten inequivalent I2+ sites. In the first I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the second I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the third I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the fourth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the fifth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the sixth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the seventh I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the eighth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the ninth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom. In the tenth I2+ site, I2+ is bonded in a single-bond geometry to one Si4- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiI4 by Materials Project

SiI4 is Silicon tetrafluoride-like structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight silicon tetraiodide molecules. Si4+ is bonded in a tetrahedral geometry to four I1- atoms. There are one shorter (2.45 Å) and three longer (2.46 Å) Si–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a single-bond geometry to one Si4+ atom. In the second I1- site, I1- is bonded in a single-bond geometry to one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiI3 by Materials Project

SiI3 is Silicon tetrafluoride-like structured and crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of three hexaiododisilane molecules. Si is bonded in a distorted tetrahedral geometry to one Si and three equivalent I atoms. The Si–Si bond length is 2.37 Å. All Si–I bond lengths are 2.46 Å. I is bonded in a single-bond geometry to one Si atom.

36 MATERIALS SCIENCE↗