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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Y6WO12 by Materials Project

Y6WO12 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.21–2.74 Å. W6+ is bonded in an octahedral geometry to six equivalent O2- atoms. All W–O bond lengths are 1.97 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and one W6+ atom. In the second O2- site, O2- is bonded to four equivalent Y3+ atoms to form a mixture of edge and corner-sharing OY4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YWO3 by Materials Project

YWO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent WO6 octahedra. All Y–O bond lengths are 2.90 Å. W3+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 2.05 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent W3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YWO3 by Materials Project

YWO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.86 Å. W3+ is bonded to six O2- atoms to form corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of W–O bond distances ranging from 2.16–2.18 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent W3+ atoms. In the second O2- site, O2- is bonded to two equivalent Y3+ and two equivalent W3+ atoms to form distorted corner-sharing OY2W2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YWO3 by Materials Project

YWO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted YO6 octahedra that share corners with six equivalent WO5 trigonal bipyramids and edges with six equivalent YO6 octahedra. All Y–O bond lengths are 2.32 Å. W3+ is bonded to five O2- atoms to form WO5 trigonal bipyramids that share corners with six equivalent YO6 octahedra and corners with six equivalent WO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 64°. There are three shorter (2.08 Å) and two longer (2.15 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent W3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one W3+ atom to form a mixture of edge and corner-sharing OY3W tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2W2O7 by Materials Project

Y2W2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.27–2.54 Å. In the second Y3+ site, Y3+ is bonded to eight O2- atoms to form distorted YO8 hexagonal bipyramids that share edges with six WO6 octahedra. There are a spread of Y–O bond distances ranging from 2.23–2.52 Å. In the third Y3+ site, Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.32–2.57 Å. There are three inequivalent W4+ sites. In the first W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–59°. There are a spread of W–O bond distances ranging from 2.05–2.12 Å. In the second W4+ site, W4+ is bonded to six O2- atoms to form distorted corner-sharing WO6 octahedra. The corner-sharing octahedra tilt angles range from 54–59°. All W–O bond lengths are 2.16 Å. In the third W4+ site, W4+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six WO6 octahedra and edges with two equivalent YO8 hexagonal bipyramids. The corner-sharing octahedra tilt angles range from 50–54°. There are two shorter (2.00 Å) and four longer (2.02 Å) W–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Y3+ atoms to form OY4 tetrahedra that share corners with sixteen OY4 tetrahedra and edges with six OY2W2 tetrahedra. In the second O2- site, O2- is bonded to two Y3+ and two W4+ atoms to form a mixture of distorted edge and corner-sharing OY2W2 tetrahedra. In the third O2- site, O2- is bonded to two Y3+ and two W4+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Y3+ and two W4+ atoms to form a mixture of distorted edge and corner-sharing OY2W2 tetrahedra. In the fifth O2- site, O2- is bonded to two Y3+ and two equivalent W4+ atoms to form a mixture of distorted edge and corner-sharing OY2W2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(WO2)2 by Materials Project

Y(WO2)2 is Spinel structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y3+ is bonded to four O2- atoms to form YO4 tetrahedra that share corners with twelve WO6 octahedra. The corner-sharing octahedra tilt angles range from 55–61°. All Y–O bond lengths are 2.23 Å. There are two inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six WO6 octahedra. All W–O bond lengths are 2.23 Å. In the second W+2.50+ site, W+2.50+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent YO4 tetrahedra and edges with six equivalent WO6 octahedra. All W–O bond lengths are 2.21 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three W+2.50+ atoms to form a mixture of distorted edge and corner-sharing OYW3 trigonal pyramids. In the second O2- site, O2- is bonded to one Y3+ and three equivalent W+2.50+ atoms to form a mixture of distorted edge and corner-sharing OYW3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y(WO2)2 by Materials Project

Y(WO2)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.34–2.52 Å. There are two inequivalent W+2.50+ sites. In the first W+2.50+ site, W+2.50+ is bonded in a square co-planar geometry to four O2- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) W–O bond lengths. In the second W+2.50+ site, W+2.50+ is bonded in a distorted square co-planar geometry to four O2- atoms. There are two shorter (2.17 Å) and two longer (2.18 Å) W–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two W+2.50+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Y3+ and two W+2.50+ atoms to form a mixture of edge and corner-sharing OY2W2 tetrahedra.

36 MATERIALS SCIENCE↗