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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CdH12C4Br3N by Materials Project

CdBr3N(CH3)4 crystallizes in the hexagonal P6_1 space group. The structure is one-dimensional and consists of six tetramethylammonium molecules and one CdBr3 ribbon oriented in the (0, 0, 1) direction. In the CdBr3 ribbon, Cd2+ is bonded to six Br1- atoms to form face-sharing CdBr6 octahedra. There are a spread of Cd–Br bond distances ranging from 2.81–2.87 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms. In the third Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hg2H10C3NCl5 by Materials Project

Hg2Cl5C3H7NH3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two trimethylazanium molecules and one Hg2Cl5 sheet oriented in the (0, 1, 0) direction. In the Hg2Cl5 sheet, there are two inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.36–3.41 Å. In the second Hg2+ site, Hg2+ is bonded to five Cl1- atoms to form a mixture of distorted edge and corner-sharing HgCl5 trigonal bipyramids. There are a spread of Hg–Cl bond distances ranging from 2.41–3.23 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted T-shaped geometry to three Hg2+ atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted see-saw-like geometry to four Hg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeH20C6(NCl3)2 by Materials Project

(C3H7NH3)2TeCl6 is Silicon tetrafluoride-derived structured and crystallizes in the cubic Pa-3 space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four TeCl6 clusters. In each TeCl6 cluster, Te2- is bonded in an octahedral geometry to six equivalent Cl1- atoms. All Te–Cl bond lengths are 2.58 Å. Cl1- is bonded in a single-bond geometry to one Te2- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3AlC by Materials Project

Er3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Er3Al framework. In the Er3Al framework, Er is bonded in a linear geometry to two equivalent Al atoms. Both Er–Al bond lengths are 2.65 Å. Al is bonded to six equivalent Er atoms to form corner-sharing AlEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlPt3C by Materials Project

CPt3Al is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one aluminium molecule and one CPt3 framework. In the CPt3 framework, Pt+0.33+ is bonded in a linear geometry to two equivalent C4- atoms. Both Pt–C bond lengths are 2.09 Å. C4- is bonded to six equivalent Pt+0.33+ atoms to form corner-sharing CPt6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb3AlC by Materials Project

Tb3AlC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tb3Al framework. In the Tb3Al framework, Tb is bonded in a linear geometry to two equivalent Al atoms. Both Tb–Al bond lengths are 2.69 Å. Al is bonded to six equivalent Tb atoms to form corner-sharing AlTb6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni21(B3Sb)2 by Materials Project

Ni(Ni10B3Sb)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four nickel molecules and one Ni10B3Sb framework. In the Ni10B3Sb framework, there are two inequivalent Ni+1.14+ sites. In the first Ni+1.14+ site, Ni+1.14+ is bonded in a bent 150 degrees geometry to two equivalent B3- atoms. Both Ni–B bond lengths are 2.09 Å. In the second Ni+1.14+ site, Ni+1.14+ is bonded to three equivalent B3- and one Sb3- atom to form a mixture of edge and corner-sharing NiB3Sb tetrahedra. All Ni–B bond lengths are 2.10 Å. The Ni–Sb bond length is 2.46 Å. B3- is bonded in a 8-coordinate geometry to eight Ni+1.14+ atoms. Sb3- is bonded in a distorted tetrahedral geometry to four equivalent Ni+1.14+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3GaC by Materials Project

Er3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Er3Ga framework. In the Er3Ga framework, Er is bonded in a linear geometry to two equivalent Ga atoms. Both Er–Ga bond lengths are 2.63 Å. Ga is bonded to six equivalent Er atoms to form corner-sharing GaEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Er3InC by Materials Project

Er3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Er3In framework. In the Er3In framework, Er is bonded in a linear geometry to two equivalent In atoms. Both Er–In bond lengths are 2.77 Å. In is bonded to six equivalent Er atoms to form corner-sharing InEr6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3GaC by Materials Project

Ho3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Ho3Ga framework. In the Ho3Ga framework, Ho is bonded in a linear geometry to two equivalent Ga atoms. Both Ho–Ga bond lengths are 2.64 Å. Ga is bonded to six equivalent Ho atoms to form corner-sharing GaHo6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nd3GaC by Materials Project

GaNd3C is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one GaNd3 framework. In the GaNd3 framework, Nd is bonded in a linear geometry to two equivalent Ga atoms. Both Nd–Ga bond lengths are 2.75 Å. Ga is bonded to six equivalent Nd atoms to form corner-sharing GaNd6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tm3GaC by Materials Project

Tm3GaC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Tm3Ga framework. In the Tm3Ga framework, Tm is bonded in a linear geometry to two equivalent Ga atoms. Both Tm–Ga bond lengths are 2.61 Å. Ga is bonded to six equivalent Tm atoms to form corner-sharing GaTm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ho3InC by Materials Project

Ho3InC is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one methane molecule and one Ho3In framework. In the Ho3In framework, Ho is bonded in a linear geometry to two equivalent In atoms. Both Ho–In bond lengths are 2.78 Å. In is bonded to six equivalent Ho atoms to form corner-sharing InHo6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbAuC2 by Materials Project

RbAuC2 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one rubidium molecule and one AuC2 ribbon oriented in the (0, 0, 1) direction. In the AuC2 ribbon, Au1- is bonded in a linear geometry to two equivalent C atoms. Both Au–C bond lengths are 2.00 Å. C is bonded in a linear geometry to one Au1- and one C atom. The C–C bond length is 1.25 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaAuC2 by Materials Project

NaAuC2 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one sodium molecule and one AuC2 ribbon oriented in the (0, 0, 1) direction. In the AuC2 ribbon, Au1- is bonded in a linear geometry to two equivalent C atoms. Both Au–C bond lengths are 2.00 Å. C is bonded in a distorted linear geometry to one Au1- and one C atom. The C–C bond length is 1.25 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KAuC2 by Materials Project

KAuC2 crystallizes in the tetragonal P4/mmm space group. The structure is one-dimensional and consists of one potassium molecule and one AuC2 ribbon oriented in the (0, 0, 1) direction. In the AuC2 ribbon, Au1- is bonded in a linear geometry to two equivalent C atoms. Both Au–C bond lengths are 2.00 Å. C is bonded in a linear geometry to one Au1- and one C atom. The C–C bond length is 1.25 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbBSe3 by Materials Project

RbBSe3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four rubidium molecules and two BSe3 ribbons oriented in the (1, 0, 0) direction. In each BSe3 ribbon, B3- is bonded to four Se+0.67+ atoms to form corner-sharing BSe4 tetrahedra. There are two shorter (2.06 Å) and two longer (2.09 Å) B–Se bond lengths. There are three inequivalent Se+0.67+ sites. In the first Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom. In the second Se+0.67+ site, Se+0.67+ is bonded in a water-like geometry to two equivalent B3- atoms. In the third Se+0.67+ site, Se+0.67+ is bonded in a single-bond geometry to one B3- atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm3AlN by Materials Project

(Sm3Al)2N2 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional and consists of one ammonia molecule and one Sm3Al framework. In the Sm3Al framework, Sm is bonded in a linear geometry to two equivalent Al atoms. Both Sm–Al bond lengths are 2.73 Å. Al is bonded to six equivalent Sm atoms to form corner-sharing AlSm6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗