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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrSc2O4 by Materials Project

SrSc2O4 is Spinel structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Sr2+ is bonded to four equivalent O2- atoms to form SrO4 tetrahedra that share corners with twelve equivalent ScO6 octahedra. The corner-sharing octahedra tilt angles range from 61–62°. All Sr–O bond lengths are 2.34 Å. Sc3+ is bonded to six equivalent O2- atoms to form ScO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent ScO6 octahedra. All Sc–O bond lengths are 2.16 Å. O2- is bonded to one Sr2+ and three equivalent Sc3+ atoms to form a mixture of corner and edge-sharing OSrSc3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrSc2O4 by Materials Project

SrSc2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.91 Å. Sc3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ScO6 octahedra. The corner-sharing octahedra tilt angles range from 0–42°. There are a spread of Sc–O bond distances ranging from 2.06–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and four equivalent Sc3+ atoms to form distorted OSr2Sc4 octahedra that share corners with two equivalent OSr2Sc4 octahedra, edges with two equivalent OSr2Sc4 octahedra, and edges with four equivalent OSr2Sc2 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three equivalent Sc3+ atoms. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Sc3+ atoms to form distorted OSr2Sc2 tetrahedra that share corners with two equivalent OSr2Sc2 tetrahedra and edges with four equivalent OSr2Sc4 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrScO3 by Materials Project

SrScO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent ScO6 octahedra. All Sr–O bond lengths are 2.93 Å. Sc is bonded to six equivalent O atoms to form ScO6 octahedra that share corners with six equivalent ScO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Sc–O bond lengths are 2.07 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Sc atoms.

36 MATERIALS SCIENCE↗