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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrLaGaO4 by Materials Project

SrLaGaO4 is (La,Ba)CuO4-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.43–2.78 Å. La3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of La–O bond distances ranging from 2.36–2.77 Å. Ga3+ is bonded to six O2- atoms to form corner-sharing GaO6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are a spread of Ga–O bond distances ranging from 1.95–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent La3+, and two equivalent Ga3+ atoms to form distorted OSr2La2Ga2 octahedra that share corners with fourteen OSrLa4Ga octahedra, edges with two equivalent OSr2La2Ga2 octahedra, and faces with eight OSrLa4Ga octahedra. The corner-sharing octahedra tilt angles range from 7–53°. In the second O2- site, O2- is bonded to one Sr2+, four equivalent La3+, and one Ga3+ atom to form distorted OSrLa4Ga octahedra that share corners with seventeen OSrLa4Ga octahedra, edges with eight OSrLa4Ga octahedra, and faces with four equivalent OSr2La2Ga2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the third O2- site, O2- is bonded to four equivalent Sr2+, one La3+, and one Ga3+ atom to form distorted OSr4LaGa octahedra that share corners with seventeen OSrLa4Ga octahedra, edges with eight OSrLa4Ga octahedra, and faces with four equivalent OSr2La2Ga2 octahedra. The corner-sharing octahedra tilt angles range from 0–53°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrLaGa3O7 by Materials Project

SrLaGa3O7 crystallizes in the orthorhombic Cmm2 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 2.56–3.01 Å. La3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.42–2.95 Å. There are three inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There is two shorter (1.85 Å) and two longer (1.87 Å) Ga–O bond length. In the second Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.83–1.88 Å. In the third Ga3+ site, Ga3+ is bonded to four O2- atoms to form corner-sharing GaO4 tetrahedra. There are a spread of Ga–O bond distances ranging from 1.82–1.89 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent Ga3+ atoms to form distorted OSr2Ga2 tetrahedra that share corners with four OSrLa2Ga tetrahedra and edges with two equivalent OSr2LaGa tetrahedra. In the second O2- site, O2- is bonded to two equivalent La3+ and two equivalent Ga3+ atoms to form a mixture of distorted edge and corner-sharing OLa2Ga2 tetrahedra. In the third O2- site, O2- is bonded to one Sr2+, two equivalent La3+, and one Ga3+ atom to form distorted OSrLa2Ga tetrahedra that share corners with six OSr2Ga2 tetrahedra and edges with two OLa2Ga2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent Sr2+, one La3+, and one Ga3+ atom to form a mixture of distorted edge and corner-sharing OSr2LaGa tetrahedra. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to one Sr2+, one La3+, and two Ga3+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to one Sr2+, one La3+, and two Ga3+ atoms.

36 MATERIALS SCIENCE↗