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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScTlS2 by Materials Project

ScTlS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc3+ is bonded to six equivalent S2- atoms to form edge-sharing ScS6 octahedra. All Sc–S bond lengths are 2.61 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.21 Å. S2- is bonded to three equivalent Sc3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner, edge, and face-sharing SSc3Tl3 octahedra. The corner-sharing octahedra tilt angles range from 0–40°.

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DOE OSTI2020

Materials Data on LiCd by Materials Project

LiCd is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two LiCd frameworks. Li is bonded to four equivalent Cd atoms to form distorted corner-sharing LiCd4 tetrahedra. All Li–Cd bond lengths are 2.92 Å. Cd is bonded to four equivalent Li atoms to form distorted corner-sharing CdLi4 tetrahedra.

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DOE OSTI2020

Materials Data on NaTl by Materials Project

NaTl is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two NaTl frameworks. Na is bonded to four equivalent Tl atoms to form distorted corner-sharing NaTl4 tetrahedra. All Na–Tl bond lengths are 3.32 Å. Tl is bonded to four equivalent Na atoms to form distorted corner-sharing TlNa4 tetrahedra.

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DOE OSTI2020

Materials Data on Sc2GaC by Materials Project

Sc2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent C atoms. All Sc–Ga bond lengths are 3.09 Å. All Sc–C bond lengths are 2.28 Å. Ga is bonded in a 6-coordinate geometry to six equivalent Sc atoms. C is bonded to six equivalent Sc atoms to form edge-sharing CSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on RbYTe2 by Materials Project

RbYTe2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb1+ is bonded to six equivalent Te2- atoms to form distorted RbTe6 pentagonal pyramids that share corners with six equivalent YTe6 octahedra, edges with six equivalent YTe6 octahedra, and edges with six equivalent RbTe6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°. All Rb–Te bond lengths are 3.67 Å. Y3+ is bonded to six equivalent Te2- atoms to form YTe6 octahedra that share corners with six equivalent RbTe6 pentagonal pyramids, edges with six equivalent YTe6 octahedra, and edges with six equivalent RbTe6 pentagonal pyramids. All Y–Te bond lengths are 3.12 Å. Te2- is bonded to three equivalent Rb1+ and three equivalent Y3+ atoms to form a mixture of edge, face, and corner-sharing TeRb3Y3 octahedra. The corner-sharing octahedra tilt angles range from 0–42°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiZn by Materials Project

LiZn is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two LiZn frameworks. Li is bonded to four equivalent Zn atoms to form distorted corner-sharing LiZn4 tetrahedra. All Li–Zn bond lengths are 2.67 Å. Zn is bonded to four equivalent Li atoms to form distorted corner-sharing ZnLi4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr2GeC by Materials Project

Cr2GeC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 6-coordinate geometry to three equivalent Ge and three equivalent C atoms. All Cr–Ge bond lengths are 2.61 Å. All Cr–C bond lengths are 1.98 Å. Ge is bonded in a 12-coordinate geometry to six equivalent Cr atoms. C is bonded to six equivalent Cr atoms to form edge-sharing CCr6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb2InC by Materials Project

Nb2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Nb–In bond lengths are 3.06 Å. All Nb–C bond lengths are 2.20 Å. In is bonded to six equivalent Nb and six equivalent In atoms to form distorted InNb6In6 cuboctahedra that share corners with six equivalent InNb6In6 cuboctahedra, corners with six equivalent CNb6 octahedra, edges with six equivalent InNb6In6 cuboctahedra, edges with six equivalent CNb6 octahedra, and faces with six equivalent InNb6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.20 Å. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent InNb6In6 cuboctahedra, edges with six equivalent InNb6In6 cuboctahedra, and edges with six equivalent CNb6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr2InC by Materials Project

Zr2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Zr–In bond lengths are 3.20 Å. All Zr–C bond lengths are 2.31 Å. In is bonded to six equivalent Zr atoms to form distorted InZr6 cuboctahedra that share corners with six equivalent CZr6 octahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Zr atoms to form CZr6 octahedra that share corners with six equivalent InZr6 cuboctahedra, edges with six equivalent InZr6 cuboctahedra, and edges with six equivalent CZr6 octahedra.

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DOE OSTI2020

Materials Data on TlInS2 by Materials Project

TlInS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.23 Å. In3+ is bonded to six equivalent S2- atoms to form edge-sharing InS6 octahedra. All In–S bond lengths are 2.68 Å. S2- is bonded to three equivalent Tl1+ and three equivalent In3+ atoms to form a mixture of distorted corner, edge, and face-sharing STl3In3 octahedra. The corner-sharing octahedra tilt angles range from 0–41°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2InC by Materials Project

Sc2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Sc–In bond lengths are 3.26 Å. All Sc–C bond lengths are 2.29 Å. In is bonded to six equivalent Sc and six equivalent In atoms to form distorted InSc6In6 cuboctahedra that share corners with six equivalent InSc6In6 cuboctahedra, corners with six equivalent CSc6 octahedra, edges with six equivalent InSc6In6 cuboctahedra, edges with six equivalent CSc6 octahedra, and faces with six equivalent InSc6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 21°. All In–In bond lengths are 3.35 Å. C is bonded to six equivalent Sc atoms to form CSc6 octahedra that share corners with six equivalent InSc6In6 cuboctahedra, edges with six equivalent InSc6In6 cuboctahedra, and edges with six equivalent CSc6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr2GaC by Materials Project

Cr2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent C atoms. All Cr–Ga bond lengths are 2.65 Å. All Cr–C bond lengths are 1.97 Å. Ga is bonded to six equivalent Cr and six equivalent Ga atoms to form distorted GaCr6Ga6 cuboctahedra that share corners with six equivalent GaCr6Ga6 cuboctahedra, corners with six equivalent CCr6 octahedra, edges with six equivalent GaCr6Ga6 cuboctahedra, edges with six equivalent CCr6 octahedra, and faces with six equivalent GaCr6Ga6 cuboctahedra. The corner-sharing octahedral tilt angles are 19°. All Ga–Ga bond lengths are 2.87 Å. C is bonded to six equivalent Cr atoms to form CCr6 octahedra that share corners with six equivalent GaCr6Ga6 cuboctahedra, edges with six equivalent GaCr6Ga6 cuboctahedra, and edges with six equivalent CCr6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2InC by Materials Project

Ti2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Ti–In bond lengths are 3.04 Å. All Ti–C bond lengths are 2.13 Å. In is bonded to six equivalent Ti and six equivalent In atoms to form distorted InTi6In6 cuboctahedra that share corners with six equivalent InTi6In6 cuboctahedra, corners with six equivalent CTi6 octahedra, edges with six equivalent InTi6In6 cuboctahedra, edges with six equivalent CTi6 octahedra, and faces with six equivalent InTi6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.15 Å. C is bonded to six equivalent Ti atoms to form CTi6 octahedra that share corners with six equivalent InTi6In6 cuboctahedra, edges with six equivalent InTi6In6 cuboctahedra, and edges with six equivalent CTi6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaIn by Materials Project

NaIn is Zintl Phase structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional and consists of two NaIn frameworks. Na is bonded to four equivalent In atoms to form distorted corner-sharing NaIn4 tetrahedra. All Na–In bond lengths are 3.23 Å. In is bonded to four equivalent Na atoms to form distorted corner-sharing InNa4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2PbC by Materials Project

Ti2PbC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 3-coordinate geometry to three equivalent Pb and three equivalent C atoms. All Ti–Pb bond lengths are 3.07 Å. All Ti–C bond lengths are 2.15 Å. Pb is bonded in a 12-coordinate geometry to six equivalent Ti atoms. C is bonded to six equivalent Ti atoms to form edge-sharing CTi6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V2InC by Materials Project

V2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All V–In bond lengths are 2.93 Å. All V–C bond lengths are 2.04 Å. In is bonded to six equivalent V and six equivalent In atoms to form InV6In6 cuboctahedra that share corners with six equivalent InV6In6 cuboctahedra, corners with six equivalent CV6 octahedra, edges with six equivalent InV6In6 cuboctahedra, edges with six equivalent CV6 octahedra, and faces with six equivalent InV6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.02 Å. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent InV6In6 cuboctahedra, edges with six equivalent InV6In6 cuboctahedra, and edges with six equivalent CV6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2InC by Materials Project

Ta2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Ta–In bond lengths are 3.04 Å. All Ta–C bond lengths are 2.19 Å. In is bonded to six equivalent Ta and six equivalent In atoms to form distorted InTa6In6 cuboctahedra that share corners with six equivalent InTa6In6 cuboctahedra, corners with six equivalent CTa6 octahedra, edges with six equivalent InTa6In6 cuboctahedra, edges with six equivalent CTa6 octahedra, and faces with six equivalent InTa6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 20°. All In–In bond lengths are 3.17 Å. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent InTa6In6 cuboctahedra, edges with six equivalent InTa6In6 cuboctahedra, and edges with six equivalent CTa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2InC by Materials Project

Hf2InC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded in a 3-coordinate geometry to three equivalent In and three equivalent C atoms. All Hf–In bond lengths are 3.16 Å. All Hf–C bond lengths are 2.27 Å. In is bonded to six equivalent Hf atoms to form distorted InHf6 cuboctahedra that share corners with six equivalent CHf6 octahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra. The corner-sharing octahedral tilt angles are 20°. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent InHf6 cuboctahedra, edges with six equivalent InHf6 cuboctahedra, and edges with six equivalent CHf6 octahedra.

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