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Results for “O-Tb-V”

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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DOE OSTI2020

Materials Data on TbVO4 by Materials Project

TbVO4 is Zircon structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb3+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.46 Å) Tb–O bond lengths. V5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.74 Å. O2- is bonded in a 1-coordinate geometry to two equivalent Tb3+ and one V5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbVO3 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbVO2 by Materials Project

TbVO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded to six equivalent O atoms to form edge-sharing TbO6 octahedra. There are four shorter (2.34 Å) and two longer (2.36 Å) Tb–O bond lengths. V is bonded in a square co-planar geometry to four equivalent O atoms. All V–O bond lengths are 2.20 Å. O is bonded to three equivalent Tb and two equivalent V atoms to form a mixture of distorted corner and edge-sharing OTb3V2 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbVO3 by Materials Project

TbVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Tb3+ is bonded to twelve equivalent O2- atoms to form TbO12 cuboctahedra that share corners with twelve equivalent TbO12 cuboctahedra, faces with six equivalent TbO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Tb–O bond lengths are 2.72 Å. V3+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent TbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.92 Å. O2- is bonded in a distorted linear geometry to four equivalent Tb3+ and two equivalent V3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbVO2 by Materials Project

TbVO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Tb is bonded in a distorted hexagonal planar geometry to six equivalent O atoms. There are two shorter (2.27 Å) and four longer (2.46 Å) Tb–O bond lengths. V is bonded in a linear geometry to two equivalent O atoms. Both V–O bond lengths are 1.88 Å. O is bonded to three equivalent Tb and one V atom to form a mixture of distorted corner and edge-sharing OTb3V tetrahedra.

36 MATERIALS SCIENCE↗