SEARCH · Engineering Papers

Results for “Er-Ga-O”

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.

5 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on Er3Ga5O12 by Materials Project

Er3Ga5O12 crystallizes in the cubic Ia-3d space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. There are four shorter (2.34 Å) and four longer (2.43 Å) Er–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 2.02 Å. O2- is bonded in a 4-coordinate geometry to two equivalent Er3+ and two Ga3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er3GaO6 by Materials Project

Er3GaO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share a cornercorner with one GaO4 tetrahedra, edges with two equivalent ErO7 pentagonal bipyramids, and an edgeedge with one GaO4 tetrahedra. There are a spread of Er–O bond distances ranging from 2.25–2.41 Å. In the second Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.19–2.54 Å. Ga3+ is bonded to four O2- atoms to form GaO4 tetrahedra that share a cornercorner with one ErO7 pentagonal bipyramid and an edgeedge with one ErO7 pentagonal bipyramid. There is one shorter (1.85 Å) and three longer (1.89 Å) Ga–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form distorted OEr3Ga tetrahedra that share corners with eight equivalent OEr4 tetrahedra, corners with four equivalent OEr3Ga trigonal pyramids, and edges with two equivalent OEr3Ga trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Er3+ and one Ga3+ atom. In the third O2- site, O2- is bonded to four Er3+ atoms to form OEr4 tetrahedra that share corners with six OEr3Ga tetrahedra, corners with six equivalent OEr3Ga trigonal pyramids, edges with three equivalent OEr4 tetrahedra, and an edgeedge with one OEr3Ga trigonal pyramid. In the fourth O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form a mixture of distorted corner and edge-sharing OEr3Ga trigonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ErGaO3 by Materials Project

ErGaO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Er–O bond distances ranging from 2.25–2.49 Å. In the second Er3+ site, Er3+ is bonded to seven O2- atoms to form distorted ErO7 pentagonal bipyramids that share corners with three equivalent GaO5 trigonal bipyramids and edges with three equivalent GaO5 trigonal bipyramids. There are a spread of Er–O bond distances ranging from 2.27–2.37 Å. Ga3+ is bonded to five O2- atoms to form GaO5 trigonal bipyramids that share a cornercorner with one ErO7 pentagonal bipyramid, corners with six equivalent GaO5 trigonal bipyramids, and an edgeedge with one ErO7 pentagonal bipyramid. There are a spread of Ga–O bond distances ranging from 1.90–2.05 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form OEr3Ga tetrahedra that share corners with ten OEr3Ga tetrahedra, corners with two equivalent OErGa3 trigonal pyramids, edges with three equivalent OEr3Ga tetrahedra, and edges with two equivalent OErGa3 trigonal pyramids. In the second O2- site, O2- is bonded to three Er3+ and one Ga3+ atom to form distorted OEr3Ga tetrahedra that share corners with ten OEr3Ga tetrahedra, corners with four equivalent OErGa3 trigonal pyramids, edges with three equivalent OEr3Ga tetrahedra, and an edgeedge with one OErGa3 trigonal pyramid. In the third O2- site, O2- is bonded to one Er3+ and three equivalent Ga3+ atoms to form OErGa3 trigonal pyramids that share corners with six equivalent OEr3Ga tetrahedra, corners with six equivalent OErGa3 trigonal pyramids, and edges with three equivalent OEr3Ga tetrahedra. In the fourth O2- site, O2- is bonded to one Er3+ and three equivalent Ga3+ atoms to form distorted OErGa3 trigonal pyramids that share corners with six equivalent OEr3Ga tetrahedra, corners with six OErGa3 trigonal pyramids, and edges with three equivalent OEr3Ga tetrahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ErGaO3 by Materials Project

ErGaO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Er3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Er–O bond distances ranging from 2.22–2.69 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. 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 in a 5-coordinate geometry to three equivalent Er3+ and two equivalent Ga3+ atoms. In the second O2- site, O2- is bonded to two equivalent Er3+ and two equivalent Ga3+ atoms to form distorted corner-sharing OEr2Ga2 trigonal pyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ErGaO3 by Materials Project

ErGaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Er3+ is bonded to twelve equivalent O2- atoms to form ErO12 cuboctahedra that share corners with twelve equivalent ErO12 cuboctahedra, faces with six equivalent ErO12 cuboctahedra, and faces with eight equivalent GaO6 octahedra. All Er–O bond lengths are 2.70 Å. Ga3+ is bonded to six equivalent O2- atoms to form GaO6 octahedra that share corners with six equivalent GaO6 octahedra and faces with eight equivalent ErO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–O bond lengths are 1.91 Å. O2- is bonded in a distorted linear geometry to four equivalent Er3+ and two equivalent Ga3+ atoms.

36 MATERIALS SCIENCE↗