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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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At least 217 records · Page 12
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DOE OSTI2020

Materials Data on BPS4 by Materials Project

BPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic I222 space group. The structure is one-dimensional and consists of two BPS4 ribbons oriented in the (1, 0, 0) direction. B3+ is bonded to four equivalent S2- atoms to form BS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All B–S bond lengths are 1.94 Å. P5+ is bonded to four equivalent S2- atoms to form distorted PS4 tetrahedra that share edges with two equivalent BS4 tetrahedra. All P–S bond lengths are 2.06 Å. S2- is bonded in an L-shaped geometry to one B3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPS4 by Materials Project

AlPS4 is Silicon Disuphide-derived structured and crystallizes in the orthorhombic I222 space group. The structure is one-dimensional and consists of two AlPS4 ribbons oriented in the (1, 0, 0) direction. Al3+ is bonded to four equivalent S2- atoms to form distorted AlS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All Al–S bond lengths are 2.27 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share edges with two equivalent AlS4 tetrahedra. All P–S bond lengths are 2.07 Å. S2- is bonded in an L-shaped geometry to one Al3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPS4 by Materials Project

AlPS4 is Silicon Disuphide-derived structured and crystallizes in the tetragonal P-42c space group. The structure is one-dimensional and consists of two AlPS4 ribbons oriented in the (0, 1, 0) direction. Al3+ is bonded to four equivalent S2- atoms to form distorted AlS4 tetrahedra that share edges with two equivalent PS4 tetrahedra. All Al–S bond lengths are 2.27 Å. P5+ is bonded to four equivalent S2- atoms to form PS4 tetrahedra that share edges with two equivalent AlS4 tetrahedra. All P–S bond lengths are 2.07 Å. S2- is bonded in an L-shaped geometry to one Al3+ and one P5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuI4 by Materials Project

CuI4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic Cm space group. The structure is zero-dimensional and consists of two CuI4 clusters. Cu is bonded in a tetrahedral geometry to four I atoms. There are one shorter (2.52 Å) and three longer (2.53 Å) Cu–I bond lengths. There are three inequivalent I sites. In the first I site, I is bonded in a single-bond geometry to one Cu atom. In the second I site, I is bonded in a single-bond geometry to one Cu atom. In the third I site, I is bonded in a single-bond geometry to one Cu atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on H3CCl by Materials Project

CH3Cl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four chloromethane molecules. C2- is bonded in a tetrahedral geometry to three H1+ and one Cl1- atom. All C–H bond lengths are 1.10 Å. The C–Cl bond length is 1.79 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2- atom. Cl1- is bonded in a single-bond geometry to one C2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoO4 by Materials Project

CoO4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two CoO4 clusters. Co is bonded in a tetrahedral geometry to four O atoms. There are a spread of Co–O bond distances ranging from 1.60–1.63 Å. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Co atom. In the second O site, O is bonded in a single-bond geometry to one Co atom. In the third O site, O is bonded in a single-bond geometry to one Co atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CClF3 by Materials Project

CF3Cl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four trifluoromethyl chloride molecules. C4+ is bonded in a tetrahedral geometry to one Cl1- and three F1- atoms. The C–Cl bond length is 1.75 Å. All C–F bond lengths are 1.35 Å. Cl1- is bonded in a single-bond geometry to one C4+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one C4+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BNF8 by Materials Project

BF4NF4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pbcm space group. The structure is zero-dimensional and consists of four tetrafluoroazanium molecules and four BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. All B–F bond lengths are 1.42 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CoN3Cl5 by Materials Project

CoCl4N2NCl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight ammonia molecules, four chloramine molecules, and four CoCl4 clusters. In each CoCl4 cluster, Co2+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Co–Cl bond lengths are 2.14 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Co2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeH3Cl by Materials Project

GeH3Cl is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is zero-dimensional and consists of four chlorogermane molecules. Ge2+ is bonded in a tetrahedral geometry to three H+0.33- and one Cl1- atom. All Ge–H bond lengths are 1.53 Å. The Ge–Cl bond length is 2.22 Å. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in a single-bond geometry to one Ge2+ atom. In the second H+0.33- site, H+0.33- is bonded in a single-bond geometry to one Ge2+ atom. Cl1- is bonded in a single-bond geometry to one Ge2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BH11C4BrNF4 by Materials Project

BF4C4NH11Br is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two ac1l8ua7 molecules and two BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BH4NF4 by Materials Project

NH4BF4 is Silicon tetrafluoride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ammonium molecules and four BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BH11C4NClF4 by Materials Project

BF4C4NH11Cl is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two (chloromethyl)trimethylaminium molecules and two BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.41–1.43 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BNF8 by Materials Project

BF4NF4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal P-42_1m space group. The structure is zero-dimensional and consists of four tetrafluoroazanium molecules and four BF4 clusters. In each BF4 cluster, B3+ is bonded in a tetrahedral geometry to four F1- atoms. There is one shorter (1.41 Å) and three longer (1.42 Å) B–F bond length. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one B3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TiBr4 by Materials Project

TiBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tibr4 molecules. Ti4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Ti–Br bond lengths are 2.34 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ti4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiBr4 by Materials Project

SiBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tetrabromosilane molecules. Si4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Si–Br bond lengths are 2.21 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Si4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnCl4 by Materials Project

SnCl4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four tin tetrachloride molecules. Sn4+ is bonded in a tetrahedral geometry to four Cl1- atoms. All Sn–Cl bond lengths are 2.32 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sn4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeBr4 by Materials Project

GeBr4 is Silicon tetrafluoride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four germanium tetrabromide molecules. Ge4+ is bonded in a tetrahedral geometry to four Br1- atoms. All Ge–Br bond lengths are 2.31 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom. In the fourth Br1- site, Br1- is bonded in a single-bond geometry to one Ge4+ atom.

36 MATERIALS SCIENCE↗