Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Gd-In-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.

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

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Gd3InO6 by Materials Project

Gd3InO6 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.65 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted edge-sharing GdO7 pentagonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.34–2.49 Å. In3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are one shorter (2.04 Å) and three longer (2.10 Å) In–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Gd3+ atoms to form OGd4 tetrahedra that share corners with six OGd4 tetrahedra, corners with six equivalent OGd3In trigonal pyramids, edges with three equivalent OGd4 tetrahedra, and an edgeedge with one OGd3In trigonal pyramid. In the second O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In trigonal pyramids that share corners with eight OGd4 tetrahedra, corners with two equivalent OGd3In trigonal pyramids, edges with two OGd4 tetrahedra, and an edgeedge with one OGd3In trigonal pyramid. In the third O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Gd3+ and one In3+ atom. In the fourth O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In tetrahedra that share corners with eight equivalent OGd4 tetrahedra, corners with four equivalent OGd3In trigonal pyramids, and edges with two equivalent OGd3In trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3InO6 by Materials Project

Gd3InO6 is Ilmenite-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Gd3+ is bonded to six O2- atoms to form distorted GdO6 pentagonal pyramids that share corners with two InO6 octahedra, corners with four equivalent GdO6 pentagonal pyramids, edges with two InO6 octahedra, and edges with four equivalent GdO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 39–49°. There are a spread of Gd–O bond distances ranging from 2.27–2.39 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent GdO6 pentagonal pyramids and edges with six equivalent GdO6 pentagonal pyramids. All In–O bond lengths are 2.24 Å. In the second In3+ site, In3+ is bonded to six equivalent O2- atoms to form InO6 octahedra that share corners with six equivalent GdO6 pentagonal pyramids and edges with six equivalent GdO6 pentagonal pyramids. All In–O bond lengths are 2.20 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Gd3+ and one In3+ atom to form a mixture of distorted edge and corner-sharing OGd3In trigonal pyramids. In the second O2- site, O2- is bonded to three equivalent Gd3+ and one In3+ atom to form a mixture of distorted edge and corner-sharing OGd3In trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdInO3 by Materials Project

GdInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Gd3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Gd–O bond distances ranging from 2.27–2.97 Å. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 41–46°. There are a spread of In–O bond distances ranging from 2.17–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Gd3+ and two equivalent In3+ atoms. In the second O2- site, O2- is bonded to two equivalent Gd3+ and two equivalent In3+ atoms to form distorted corner-sharing OGd2In2 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdInO3 by Materials Project

GdInO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Gd3+ sites. In the first Gd3+ site, Gd3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Gd–O bond distances ranging from 2.37–2.61 Å. In the second Gd3+ site, Gd3+ is bonded to seven O2- atoms to form distorted GdO7 pentagonal bipyramids that share corners with three equivalent InO5 trigonal bipyramids and edges with three equivalent InO5 trigonal bipyramids. There are a spread of Gd–O bond distances ranging from 2.34–2.49 Å. In3+ is bonded to five O2- atoms to form InO5 trigonal bipyramids that share a cornercorner with one GdO7 pentagonal bipyramid, corners with six equivalent InO5 trigonal bipyramids, and an edgeedge with one GdO7 pentagonal bipyramid. There are a spread of In–O bond distances ranging from 2.11–2.17 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form OGd3In tetrahedra that share corners with ten OGd3In tetrahedra, corners with two equivalent OGdIn3 trigonal pyramids, edges with three equivalent OGd3In tetrahedra, and edges with two equivalent OGdIn3 trigonal pyramids. In the second O2- site, O2- is bonded to three Gd3+ and one In3+ atom to form distorted OGd3In tetrahedra that share corners with ten OGd3In tetrahedra, corners with four equivalent OGdIn3 trigonal pyramids, edges with three equivalent OGd3In tetrahedra, and an edgeedge with one OGdIn3 trigonal pyramid. In the third O2- site, O2- is bonded to one Gd3+ and three equivalent In3+ atoms to form distorted OGdIn3 trigonal pyramids that share corners with six equivalent OGd3In tetrahedra, corners with six equivalent OGdIn3 trigonal pyramids, and edges with three equivalent OGd3In tetrahedra. In the fourth O2- site, O2- is bonded to one Gd3+ and three equivalent In3+ atoms to form distorted OGdIn3 trigonal pyramids that share corners with six equivalent OGd3In tetrahedra, corners with six OGdIn3 trigonal pyramids, and edges with three equivalent OGd3In tetrahedra.

36 MATERIALS SCIENCE↗