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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiAs by Materials Project

TiAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing TiAs6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Ti–As bond lengths are 2.61 Å. As3- is bonded to six equivalent Ti3+ atoms to form a mixture of distorted edge and corner-sharing AsTi6 pentagonal pyramids.

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DOE OSTI2020

Materials Data on SbIr by Materials Project

IrSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ir3+ is bonded to six equivalent Sb3- atoms to form a mixture of corner, edge, and face-sharing IrSb6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Ir–Sb bond lengths are 2.73 Å. Sb3- is bonded in a 6-coordinate geometry to six equivalent Ir3+ atoms.

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Materials Data on MnSe by Materials Project

MnSe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn2+ is bonded to six equivalent Se2- atoms to form a mixture of edge, face, and corner-sharing MnSe6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Mn–Se bond lengths are 2.68 Å. Se2- is bonded in a 6-coordinate geometry to six equivalent Mn2+ atoms.

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Materials Data on VTe by Materials Project

TeV is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V2+ is bonded to six equivalent Te2- atoms to form a mixture of corner, edge, and face-sharing VTe6 octahedra. The corner-sharing octahedral tilt angles are 50°. All V–Te bond lengths are 2.82 Å. Te2- is bonded in a 6-coordinate geometry to six equivalent V2+ atoms.

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DOE OSTI2020

Materials Data on TmTe by Materials Project

TmTe is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm is bonded to six equivalent Te atoms to form a mixture of distorted edge and corner-sharing TmTe6 pentagonal pyramids. All Tm–Te bond lengths are 3.07 Å. Te is bonded to six equivalent Tm atoms to form a mixture of edge, face, and corner-sharing TeTm6 octahedra. The corner-sharing octahedral tilt angles are 45°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlAs by Materials Project

AlAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Al3+ is bonded to six equivalent As3- atoms to form a mixture of edge, corner, and face-sharing AlAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Al–As bond lengths are 2.65 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Al3+ atoms.

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DOE OSTI2020

Materials Data on ZrP by Materials Project

ZrP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six P3- atoms to form a mixture of edge, face, and corner-sharing ZrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.59 Å) and three longer (2.73 Å) Zr–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted edge and corner-sharing PZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2Te3 by Materials Project

Sb2Te3 is MAX Phase-derived structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Sb2Te3 sheets oriented in the (0, 0, 1) direction. Sb3+ is bonded to six Te2- atoms to form a mixture of edge and corner-sharing SbTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (3.03 Å) and three longer (3.19 Å) Sb–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to six equivalent Sb3+ atoms to form edge-sharing TeSb6 octahedra. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeN by Materials Project

FeN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Fe–N bond lengths are 2.02 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing NFe6 pentagonal pyramids.

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Materials Data on Ti2Te2P by Materials Project

Ti2PTe2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Ti2PTe2 sheets oriented in the (0, 0, 1) direction. Ti+3.50+ is bonded to three equivalent P3- and three equivalent Te2- atoms to form a mixture of corner and edge-sharing TiTe3P3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ti–P bond lengths are 2.49 Å. All Ti–Te bond lengths are 2.78 Å. P3- is bonded to six equivalent Ti+3.50+ atoms to form edge-sharing PTi6 octahedra. Te2- is bonded in a 3-coordinate geometry to three equivalent Ti+3.50+ atoms.

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Materials Data on CoS by Materials Project

CoS is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co2+ is bonded to six equivalent S2- atoms to form a mixture of edge, corner, and face-sharing CoS6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Co–S bond lengths are 2.32 Å. S2- is bonded in a 6-coordinate geometry to six equivalent Co2+ atoms.

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Materials Data on Ge(Te2As)2 by Materials Project

As2Te3(GeTe) is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three As2Te3(GeTe) sheets oriented in the (0, 0, 1) direction. Ge4+ is bonded to six equivalent Te2- atoms to form GeTe6 octahedra that share corners with six equivalent AsTe6 octahedra, edges with six equivalent GeTe6 octahedra, and edges with six equivalent AsTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Ge–Te bond lengths are 2.97 Å. As2+ is bonded to six Te2- atoms to form AsTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent AsTe6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are three shorter (2.85 Å) and three longer (3.03 Å) As–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent As2+ atoms. In the second Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent As2+ atoms to form a mixture of corner and edge-sharing TeGe3As3 octahedra. The corner-sharing octahedral tilt angles are 0°.

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Materials Data on Ge2Te5As2 by Materials Project

As2Ge2Te5 is MAX Phase-like structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one As2Ge2Te5 sheet oriented in the (0, 0, 1) direction. Ge4+ is bonded to six Te2- atoms to form GeTe6 octahedra that share corners with three equivalent GeTe6 octahedra, corners with three equivalent AsTe6 octahedra, edges with three equivalent AsTe6 octahedra, and edges with nine equivalent GeTe6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are three shorter (2.97 Å) and three longer (3.00 Å) Ge–Te bond lengths. As1+ is bonded to six Te2- atoms to form AsTe6 octahedra that share corners with three equivalent GeTe6 octahedra, edges with three equivalent GeTe6 octahedra, and edges with six equivalent AsTe6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are three shorter (2.86 Å) and three longer (3.04 Å) As–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to three equivalent Ge4+ and three equivalent As1+ atoms to form TeGe3As3 octahedra that share corners with three equivalent TeGe6 octahedra and edges with nine TeGe3As3 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second Te2- site, Te2- is bonded in a 3-coordinate geometry to three equivalent As1+ atoms. In the third Te2- site, Te2- is bonded to six equivalent Ge4+ atoms to form a mixture of edge and corner-sharing TeGe6 octahedra. The corner-sharing octahedral tilt angles are 1°.

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DOE OSTI2020

Materials Data on CoAs by Materials Project

CoAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co3+ is bonded to six equivalent As3- atoms to form a mixture of face, edge, and corner-sharing CoAs6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Co–As bond lengths are 2.41 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Co3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbN by Materials Project

NbN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing NbN6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are three shorter (2.23 Å) and three longer (2.26 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of edge and corner-sharing NNb6 octahedra. In the second N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted edge and corner-sharing NNb6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrSb by Materials Project

CrSb is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent Sb3- atoms to form a mixture of face, edge, and corner-sharing CrSb6 octahedra. The corner-sharing octahedral tilt angles are 50°. All Cr–Sb bond lengths are 2.75 Å. Sb3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ atoms.

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DOE OSTI2020

Materials Data on Zr2Te2P by Materials Project

Zr2PTe2 is MAX Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Zr2PTe2 sheets oriented in the (0, 0, 1) direction. Zr+3.50+ is bonded to three equivalent P3- and three equivalent Te2- atoms to form a mixture of edge and corner-sharing ZrTe3P3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–P bond lengths are 2.65 Å. All Zr–Te bond lengths are 2.92 Å. P3- is bonded to six equivalent Zr+3.50+ atoms to form edge-sharing PZr6 octahedra. Te2- is bonded in a 3-coordinate geometry to three equivalent Zr+3.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrAs by Materials Project

ZrAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six As3- atoms to form a mixture of corner, edge, and face-sharing ZrAs6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.68 Å) and three longer (2.82 Å) Zr–As bond lengths. There are two inequivalent As3- sites. In the first As3- site, As3- is bonded to six equivalent Zr3+ atoms to form a mixture of corner and edge-sharing AsZr6 octahedra. In the second As3- site, As3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted corner and edge-sharing AsZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°.

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