SEARCH · Engineering Papers

Results for “Ga-O-Tm”

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.

4 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on TmGaO3 by Materials Project

TmGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Tm–O bond distances ranging from 2.20–2.71 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 37–40°. There are a spread of Ga–O bond distances ranging from 2.00–2.03 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Tm3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OTm2Ga2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Tm3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmGaO3 by Materials Project

TmGaO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Tm–O bond distances ranging from 2.24–2.47 Å. In the second Tm3+ site, Tm3+ is bonded to seven O2- atoms to form distorted TmO7 pentagonal bipyramids that share corners with three equivalent GaO5 trigonal bipyramids and edges with three equivalent GaO5 trigonal bipyramids. There are a spread of Tm–O bond distances ranging from 2.25–2.35 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share a cornercorner with one TmO7 pentagonal bipyramid, corners with six equivalent GaO5 trigonal bipyramids, and an edgeedge with one TmO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.91–2.03 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Tm3+ and one Ga3+ atom to form OTm3Ga tetrahedra that share corners with ten OTm3Ga tetrahedra, corners with two equivalent OTmGa3 trigonal pyramids, edges with three equivalent OTm3Ga tetrahedra, and edges with two equivalent OTmGa3 trigonal pyramids. In the second O2- site, O2- is bonded to three Tm3+ and one Ga3+ atom to form distorted OTm3Ga tetrahedra that share corners with ten OTm3Ga tetrahedra, corners with four equivalent OTmGa3 trigonal pyramids, edges with three equivalent OTm3Ga tetrahedra, and an edgeedge with one OTmGa3 trigonal pyramid. In the third O2- site, O2- is bonded to one Tm3+ and three equivalent Ga3+ atoms to form distorted OTmGa3 trigonal pyramids that share corners with six equivalent OTm3Ga tetrahedra, corners with six OTmGa3 trigonal pyramids, and edges with three equivalent OTm3Ga tetrahedra. In the fourth O2- site, O2- is bonded to one Tm3+ and three equivalent Ga3+ atoms to form OTmGa3 trigonal pyramids that share corners with six equivalent OTm3Ga tetrahedra, corners with six equivalent OTmGa3 trigonal pyramids, and edges with three equivalent OTm3Ga tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TmGaO3 by Materials Project

TmGaO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent O2- atoms to form distorted TmO6 octahedra that share corners with six equivalent GaO5 trigonal bipyramids and edges with six equivalent TmO6 octahedra. All Tm–O bond lengths are 2.25 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share corners with six equivalent TmO6 octahedra and corners with six equivalent GaO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There is two shorter (1.92 Å) and three longer (2.02 Å) Ga–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Tm3+ and one Ga3+ atom to form a mixture of edge and corner-sharing OTm3Ga tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Tm3Ga5O12 by Materials Project

Tm3Ga5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Tm3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.32 Å) and four longer (2.43 Å) Tm–O bond lengths. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent O2- atoms to form corner-sharing GaO4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. All Ga–O bond lengths are 1.86 Å. In the second Ga3+ site, Ga3+ is bonded to six equivalent O2- atoms to form corner-sharing GaO6 octahedra. All Ga–O bond lengths are 2.01 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Tm3+ and two Ga3+ atoms.

36 MATERIALS SCIENCE↗