Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “O-Sc”

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.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sc2O3 by Materials Project

Sc2O3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.04–2.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Sc3+ atoms to form OSc4 tetrahedra that share corners with six equivalent OSc6 octahedra, corners with six equivalent OSc4 tetrahedra, edges with three equivalent OSc6 octahedra, and edges with three equivalent OSc4 tetrahedra. The corner-sharing octahedra tilt angles range from 19–54°. In the second O2- site, O2- is bonded to six equivalent Sc3+ atoms to form OSc6 octahedra that share corners with twelve equivalent OSc4 tetrahedra, edges with six equivalent OSc6 octahedra, and edges with six equivalent OSc4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2O3 by Materials Project

Sc2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Sc–O bond lengths are 2.14 Å. In the second Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form a mixture of distorted corner and edge-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 53–55°. There are a spread of Sc–O bond distances ranging from 2.10–2.18 Å. O2- is bonded to four Sc3+ atoms to form a mixture of distorted corner and edge-sharing OSc4 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2O3 by Materials Project

Sc2O3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Sc–O bond distances ranging from 2.05–2.27 Å. In the second Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.08–2.38 Å. In the third Sc3+ site, Sc3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sc–O bond distances ranging from 2.10–2.60 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sc3+ atoms to form OSc4 tetrahedra that share a cornercorner with one OSc6 octahedra, corners with four OSc4 tetrahedra, corners with five equivalent OSc5 trigonal bipyramids, corners with three equivalent OSc4 trigonal pyramids, edges with two equivalent OSc6 octahedra, edges with two equivalent OSc4 tetrahedra, and an edgeedge with one OSc5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 47°. In the second O2- site, O2- is bonded to four Sc3+ atoms to form distorted OSc4 trigonal pyramids that share a cornercorner with one OSc6 octahedra, corners with nine OSc4 tetrahedra, corners with two equivalent OSc5 trigonal bipyramids, corners with two equivalent OSc4 trigonal pyramids, edges with three equivalent OSc5 trigonal bipyramids, and edges with two equivalent OSc4 trigonal pyramids. The corner-sharing octahedral tilt angles are 39°. In the third O2- site, O2- is bonded to five Sc3+ atoms to form distorted OSc5 trigonal bipyramids that share corners with seven OSc4 tetrahedra, corners with two equivalent OSc4 trigonal pyramids, edges with two equivalent OSc6 octahedra, edges with three OSc4 tetrahedra, edges with two equivalent OSc5 trigonal bipyramids, and edges with three equivalent OSc4 trigonal pyramids. In the fourth O2- site, O2- is bonded to six Sc3+ atoms to form OSc6 octahedra that share corners with six OSc4 tetrahedra, corners with two equivalent OSc4 trigonal pyramids, edges with two equivalent OSc6 octahedra, edges with six OSc4 tetrahedra, and edges with four equivalent OSc5 trigonal bipyramids. In the fifth O2- site, O2- is bonded to four Sc3+ atoms to form distorted OSc4 tetrahedra that share corners with two equivalent OSc6 octahedra, corners with four OSc4 tetrahedra, corners with two equivalent OSc5 trigonal bipyramids, corners with six equivalent OSc4 trigonal pyramids, an edgeedge with one OSc6 octahedra, an edgeedge with one OSc4 tetrahedra, and edges with two equivalent OSc5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 11°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScO by Materials Project

ScO is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc2+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.24 Å. O2- is bonded to six equivalent Sc2+ atoms to form a mixture of edge and corner-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc20O19 by Materials Project

Sc20O19 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty inequivalent Sc sites. In the first Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sc–O bond distances ranging from 2.22–2.26 Å. In the second Sc site, Sc is bonded to five O atoms to form ScO5 square pyramids that share corners with five ScO6 octahedra, corners with four ScO5 square pyramids, and edges with eight ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are two shorter (2.25 Å) and three longer (2.26 Å) Sc–O bond lengths. In the third Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with two ScO6 octahedra, corners with four ScO5 square pyramids, edges with nine ScO6 octahedra, and edges with three ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–O bond distances ranging from 2.22–2.25 Å. In the fourth Sc site, Sc is bonded to five O atoms to form ScO5 square pyramids that share corners with four ScO6 octahedra, corners with five ScO5 square pyramids, and edges with eight ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Sc–O bond distances ranging from 2.24–2.27 Å. In the fifth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with two ScO6 octahedra, corners with four ScO5 square pyramids, edges with nine ScO6 octahedra, and edges with three ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–O bond distances ranging from 2.22–2.25 Å. In the sixth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sc–O bond distances ranging from 2.22–2.27 Å. In the seventh Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with four ScO6 octahedra, corners with two ScO5 square pyramids, edges with ten ScO6 octahedra, and edges with two ScO5 square pyramids. The corner-sharing octahedral tilt angles are 1°. There are a spread of Sc–O bond distances ranging from 2.22–2.24 Å. In the eighth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Sc–O bond distances ranging from 2.22–2.26 Å. In the ninth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with two ScO6 octahedra, corners with four ScO5 square pyramids, edges with nine ScO6 octahedra, and edges with three ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sc–O bond distances ranging from 2.21–2.25 Å. In the tenth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Sc–O bond distances ranging from 2.22–2.26 Å. In the eleventh Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with two ScO6 octahedra, corners with four ScO5 square pyramids, edges with nine ScO6 octahedra, and edges with three ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–O bond distances ranging from 2.21–2.24 Å. In the twelfth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Sc–O bond distances ranging from 2.22–2.27 Å. In the thirteenth Sc site, Sc is bonded to five O atoms to form ScO5 square pyramids that share corners with five ScO6 octahedra, corners with four ScO5 square pyramids, and edges with eight ScO6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are four shorter (2.26 Å) and one longer (2.27 Å) Sc–O bond lengths. In the fourteenth Sc site, Sc is bonded to five O atoms to form ScO5 square pyramids that share corners with four ScO6 octahedra, corners with five ScO5 square pyramids, and edges with eight ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are one shorter (2.24 Å) and four longer (2.26 Å) Sc–O bond lengths. In the fifteenth Sc site, Sc is bonded to five O atoms to form ScO5 square pyramids that share corners with five ScO6 octahedra, corners with four ScO5 square pyramids, and edges with eight ScO6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Sc–O bond distances ranging from 2.25–2.27 Å. In the sixteenth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Sc–O bond distances ranging from 2.23–2.27 Å. In the seventeenth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with four ScO6 octahedra, corners with two ScO5 square pyramids, edges with ten ScO6 octahedra, and edges with two ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 1–2°. There are a spread of Sc–O bond distances ranging from 2.21–2.24 Å. In the eighteenth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of Sc–O bond distances ranging from 2.22–2.27 Å. In the nineteenth Sc site, Sc is bonded to five O atoms to form ScO5 square pyramids that share corners with five ScO6 octahedra, corners with four ScO5 square pyramids, and edges with eight ScO6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. There are four shorter (2.26 Å) and one longer (2.27 Å) Sc–O bond lengths. In the twentieth Sc site, Sc is bonded to six O atoms to form ScO6 octahedra that share corners with five ScO6 octahedra, a cornercorner with one ScO5 square pyramid, edges with eight ScO6 octahedra, and edges with four ScO5 square pyramids. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Sc–O bond distances ranging from 2.22–2.26 Å. There are nineteen inequivalent O sites. In the first O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the third O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the fourth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the fifth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the sixth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the seventh O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the eighth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the ninth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the tenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the eleventh O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the twelfth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the thirteenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the fourteenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the fifteenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. In the sixteenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. In the seventeenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the eighteenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. In the nineteenth O site, O is bonded to six Sc atoms to form a mixture of corner and edge-sharing OSc6 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2O3 by Materials Project

Sc2O3 is Corundum-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. there are three inequivalent Sc3+ sites. In the first Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc–O bond lengths are 2.14 Å. In the second Sc3+ site, Sc3+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.06 Å) and three longer (2.26 Å) Sc–O bond lengths. In the third Sc3+ site, Sc3+ is bonded to six equivalent O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedral tilt angles are 42°. All Sc–O bond lengths are 2.14 Å. O2- is bonded to four Sc3+ atoms to form a mixture of edge and corner-sharing OSc4 trigonal pyramids.

36 MATERIALS SCIENCE↗