SEARCH · Engineering Papers
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.
YScO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Y is bonded to six equivalent O atoms to form distorted edge-sharing YO6 octahedra. All Y–O bond lengths are 2.32 Å. Sc is bonded in a linear geometry to two equivalent O atoms. Both Sc–O bond lengths are 2.02 Å. O is bonded to three equivalent Y and one Sc atom to form a mixture of edge and corner-sharing OY3Sc tetrahedra.
YScO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Y3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.24–2.91 Å. Sc3+ is bonded to six O2- atoms to form corner-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 39–42°. There are a spread of Sc–O bond distances ranging from 2.09–2.15 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Y3+ and two equivalent Sc3+ atoms to form distorted corner-sharing OY2Sc2 trigonal pyramids. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+ and two equivalent Sc3+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three equivalent Y3+ and two equivalent Sc3+ atoms.
YScO3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Y3+ is bonded to six equivalent O2- atoms to form distorted YO6 octahedra that share corners with six equivalent ScO5 trigonal bipyramids and edges with six equivalent YO6 octahedra. All Y–O bond lengths are 2.32 Å. Sc3+ is bonded to five O2- atoms to form ScO5 trigonal bipyramids that share corners with six equivalent YO6 octahedra and corners with six equivalent ScO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 63°. There are three shorter (2.07 Å) and two longer (2.08 Å) Sc–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to three equivalent Y3+ and one Sc3+ atom to form a mixture of corner and edge-sharing OY3Sc tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Sc3+ atoms.
YScO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Y3+ sites. In the first Y3+ site, Y3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Y–O bond distances ranging from 2.31–2.63 Å. In the second Y3+ site, Y3+ is bonded to seven O2- atoms to form distorted YO7 pentagonal bipyramids that share corners with three equivalent ScO5 trigonal bipyramids and edges with three equivalent ScO5 trigonal bipyramids. There are a spread of Y–O bond distances ranging from 2.32–2.47 Å. Sc3+ is bonded to five O2- atoms to form ScO5 trigonal bipyramids that share a cornercorner with one YO7 pentagonal bipyramid, corners with six equivalent ScO5 trigonal bipyramids, and an edgeedge with one YO7 pentagonal bipyramid. There are a spread of Sc–O bond distances ranging from 2.05–2.10 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Y3+ and one Sc3+ atom to form OY3Sc tetrahedra that share corners with ten OY3Sc tetrahedra, corners with two equivalent OYSc3 trigonal pyramids, edges with three equivalent OY3Sc tetrahedra, and edges with two equivalent OYSc3 trigonal pyramids. In the second O2- site, O2- is bonded to three Y3+ and one Sc3+ atom to form distorted OY3Sc tetrahedra that share corners with ten OY3Sc tetrahedra, corners with four equivalent OYSc3 trigonal pyramids, edges with three equivalent OY3Sc tetrahedra, and an edgeedge with one OYSc3 trigonal pyramid. In the third O2- site, O2- is bonded to one Y3+ and three equivalent Sc3+ atoms to form distorted OYSc3 trigonal pyramids that share corners with six equivalent OY3Sc tetrahedra, corners with six OYSc3 trigonal pyramids, and edges with three equivalent OY3Sc tetrahedra. In the fourth O2- site, O2- is bonded to one Y3+ and three equivalent Sc3+ atoms to form distorted OYSc3 trigonal pyramids that share corners with six equivalent OY3Sc tetrahedra, corners with six equivalent OYSc3 trigonal pyramids, and edges with three equivalent OY3Sc tetrahedra.