SEARCH · Engineering Papers

Results for “YVO3”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

3 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on YVO3 by Materials Project

YVO3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y3+ is bonded to twelve 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 VO6 octahedra. There are four shorter (2.73 Å) and eight longer (2.78 Å) Y–O bond lengths. V3+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is four shorter (1.93 Å) and two longer (2.00 Å) V–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent V3+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent V3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YVO3 by Materials Project

YVO3 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 VO5 trigonal bipyramids and edges with six equivalent YO6 octahedra. All Y–O bond lengths are 2.29 Å. V3+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share corners with six equivalent YO6 octahedra and corners with six equivalent VO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 62°. All V–O bond lengths are 2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent V3+ atoms. In the second O2- site, O2- is bonded to three equivalent Y3+ and one V3+ atom to form a mixture of distorted corner and edge-sharing OY3V tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on YVO3 by Materials Project

YVO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent VO5 trigonal bipyramids, edges with six YO7 pentagonal bipyramids, and edges with three equivalent VO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.26–2.47 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent VO5 trigonal bipyramids, edges with six equivalent YO7 pentagonal bipyramids, and edges with three equivalent VO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.28–2.52 Å. V3+ is bonded to five O2- atoms to form VO5 trigonal bipyramids that share corners with three YO7 pentagonal bipyramids, corners with six equivalent VO5 trigonal bipyramids, and edges with three YO7 pentagonal bipyramids. There are a spread of V–O bond distances ranging from 1.92–2.07 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to one Y3+ and three equivalent V3+ atoms to form distorted OYV3 trigonal pyramids that share corners with six equivalent OY3V tetrahedra, corners with six OYV3 trigonal pyramids, and edges with three equivalent OY3V tetrahedra. In the second O2- site, O2- is bonded to one Y3+ and three equivalent V3+ atoms to form OYV3 trigonal pyramids that share corners with six equivalent OY3V tetrahedra, corners with six equivalent OYV3 trigonal pyramids, and edges with three equivalent OY3V tetrahedra. In the third O2- site, O2- is bonded to three Y3+ and one V3+ atom to form distorted OY3V tetrahedra that share corners with ten OY3V tetrahedra, corners with four equivalent OYV3 trigonal pyramids, edges with three equivalent OY3V tetrahedra, and an edgeedge with one OYV3 trigonal pyramid. In the fourth O2- site, O2- is bonded to three Y3+ and one V3+ atom to form OY3V tetrahedra that share corners with ten OY3V tetrahedra, corners with two equivalent OYV3 trigonal pyramids, edges with three equivalent OY3V tetrahedra, and edges with two equivalent OYV3 trigonal pyramids.

36 MATERIALS SCIENCE↗