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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 469 records · Page 26
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DOE OSTI2020

Materials Data on TlAuO2 by Materials Project

AuTlO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.05 Å. Tl1+ is bonded to six equivalent O2- atoms to form edge-sharing TlO6 octahedra. All Tl–O bond lengths are 2.33 Å. O2- is bonded to one Au3+ and three equivalent Tl1+ atoms to form a mixture of distorted edge and corner-sharing OTl3Au tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AgBiO2 by Materials Project

AgBiO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.09 Å. Bi3+ is bonded to six equivalent O2- atoms to form edge-sharing BiO6 octahedra. All Bi–O bond lengths are 2.41 Å. O2- is bonded to one Ag1+ and three equivalent Bi3+ atoms to form a mixture of distorted corner and edge-sharing OAgBi3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PbAuO2 by Materials Project

AuPbO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Au2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.01 Å. Pb2+ is bonded to six equivalent O2- atoms to form distorted edge-sharing PbO6 octahedra. All Pb–O bond lengths are 2.43 Å. O2- is bonded to one Au2+ and three equivalent Pb2+ atoms to form a mixture of distorted edge and corner-sharing OPb3Au tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TeAs2 by Materials Project

As2Te crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. As1+ is bonded in a linear geometry to two equivalent Te2- atoms. Both As–Te bond lengths are 2.83 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent As1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaHgO2 by Materials Project

HgGaO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Hg1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Hg–O bond lengths are 2.40 Å. Ga3+ is bonded to six equivalent O2- atoms to form edge-sharing GaO6 octahedra. All Ga–O bond lengths are 2.03 Å. O2- is bonded to one Hg1+ and three equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OGa3Hg tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuBO2 by Materials Project

CuBO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Cu1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.91 Å. B3+ is bonded to six equivalent O2- atoms to form edge-sharing BO6 octahedra. All B–O bond lengths are 1.70 Å. O2- is bonded to one Cu1+ and three equivalent B3+ atoms to form a mixture of distorted edge and corner-sharing OCuB3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2Se by Materials Project

As2Se crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. As1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both As–Se bond lengths are 2.66 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent As1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaU2(PO2)2 by Materials Project

CaU2(PO2)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ca–O bond lengths are 2.12 Å. U6+ is bonded in a linear geometry to four equivalent P3- and two O2- atoms. All U–P bond lengths are 2.84 Å. There is one shorter (1.83 Å) and one longer (1.90 Å) U–O bond length. P3- is bonded in a rectangular see-saw-like geometry to four equivalent U6+ atoms. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ atom. In the second O2- site, O2- is bonded in a linear geometry to one Ca2+ and one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on FeCuAs2PbO10 by Materials Project

FeCuPbAs2O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. Fe3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Fe–O bond lengths are 1.59 Å. Cu3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Cu–O bond distances ranging from 1.84–2.41 Å. Pb4+ is bonded in a distorted linear geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.69 Å) Pb–O bond lengths. As5+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.45–2.22 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one Cu3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Cu3+ and one As5+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Cu3+, one Pb4+, and one As5+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to one Pb4+ and one As5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgU2(SiO9)2 by Materials Project

MgU2(SiO9)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a linear geometry to six O atoms. There are two shorter (1.83 Å) and four longer (2.73 Å) Mg–O bond lengths. U is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of U–O bond distances ranging from 1.82–2.54 Å. Si is bonded in a tetrahedral geometry to four O atoms. There are a spread of Si–O bond distances ranging from 1.59–1.66 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one Si atom. In the fourth O site, O is bonded in a linear geometry to one Mg and one Si atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent U and one Si atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Mg and one O atom. The O–O bond length is 1.29 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GaPtO2 by Materials Project

PtGaO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pt2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pt–O bond lengths are 2.06 Å. Ga2+ is bonded to six equivalent O2- atoms to form edge-sharing GaO6 octahedra. All Ga–O bond lengths are 1.99 Å. O2- is bonded to one Pt2+ and three equivalent Ga2+ atoms to form a mixture of distorted edge and corner-sharing OGa3Pt trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on As2S by Materials Project

As2S crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. As1+ is bonded in a linear geometry to two equivalent S2- atoms. Both As–S bond lengths are 2.56 Å. S2- is bonded in a 4-coordinate geometry to four equivalent As1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(Mo3S4)2 by Materials Project

Li1Mo6S8 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Li1+ is bonded in a distorted linear geometry to eight S2- atoms. There are two shorter (2.41 Å) and six longer (3.22 Å) Li–S bond lengths. Mo+2.50+ is bonded to five S2- atoms to form a mixture of corner and edge-sharing MoS5 square pyramids. There are a spread of Mo–S bond distances ranging from 2.44–2.48 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Li1+ and three equivalent Mo+2.50+ atoms. In the second S2- site, S2- is bonded in a 5-coordinate geometry to one Li1+ and four equivalent Mo+2.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu(AgO)2 by Materials Project

Cu(AgO)2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ag1+ is bonded in a linear geometry to two O2- atoms. There are one shorter (2.13 Å) and one longer (2.14 Å) Ag–O bond lengths. Cu2+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.02 Å) and two longer (2.03 Å) Cu–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to two equivalent Ag1+ and two equivalent Cu2+ atoms. In the second O2- site, O2- is bonded in a square co-planar geometry to two equivalent Ag1+ and two equivalent Cu2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiPtO2 by Materials Project

PtNiO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Pt2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Pt–O bond lengths are 1.96 Å. Ni2+ is bonded to six equivalent O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 2.00 Å. O2- is bonded to one Pt2+ and three equivalent Ni2+ atoms to form a mixture of distorted edge and corner-sharing ONi3Pt trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2Te by Materials Project

Sb2Te crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Sb1+ is bonded in a linear geometry to two equivalent Te2- atoms. Both Sb–Te bond lengths are 3.04 Å. Te2- is bonded in a 4-coordinate geometry to four equivalent Sb1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2S by Materials Project

SP2 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. P1+ is bonded in a linear geometry to two equivalent S2- atoms. Both P–S bond lengths are 2.39 Å. S2- is bonded in a 4-coordinate geometry to four equivalent P1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on P2Se by Materials Project

PPSe crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. P1+ is bonded in a linear geometry to two equivalent Se2- atoms. Both P–Se bond lengths are 2.52 Å. Se2- is bonded in a 4-coordinate geometry to four equivalent P1+ atoms.

36 MATERIALS SCIENCE↗