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Materials Data on SrLa2O4 by Materials Project

SrLa2O4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 2-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.47–3.18 Å. La3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. There are a spread of La–O bond distances ranging from 2.37–2.54 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted square co-planar geometry to two equivalent Sr2+ and four equivalent La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and two equivalent La3+ atoms to form OSr2La2 tetrahedra that share corners with two equivalent OSr2La2 tetrahedra, corners with ten equivalent OSr2La3 trigonal bipyramids, and edges with two equivalent OSr2La3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent La3+ atoms to form distorted OSr2La3 trigonal bipyramids that share corners with five equivalent OSr2La2 tetrahedra, corners with two equivalent OSr2La3 trigonal bipyramids, an edgeedge with one OSr2La2 tetrahedra, and edges with five equivalent OSr2La3 trigonal bipyramids.

36 MATERIALS SCIENCE↗

Materials Data on SrLa2O4 by Materials Project

SrLa2O4 crystallizes in the orthorhombic Pnma 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 2.68–3.04 Å. There are two inequivalent La3+ sites. In the first La3+ site, La3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of La–O bond distances ranging from 2.37–2.50 Å. In the second La3+ site, La3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedra tilt angles range from 52–69°. There are a spread of La–O bond distances ranging from 2.32–2.57 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three La3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OSr2La3 trigonal bipyramids. In the third O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing OSr2La3 square pyramids. In the fourth O2- site, O2- is bonded to two equivalent Sr2+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OSr2La3 trigonal bipyramids.

36 MATERIALS SCIENCE↗

Materials Data on SrLa2O4 by Materials Project

SrLa2O4 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 LaO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. All Sr–O bond lengths are 2.50 Å. La3+ is bonded to six equivalent O2- atoms to form LaO6 octahedra that share corners with six equivalent SrO4 tetrahedra and edges with six equivalent LaO6 octahedra. There are two shorter (2.44 Å) and four longer (2.45 Å) La–O bond lengths. O2- is bonded to one Sr2+ and three equivalent La3+ atoms to form a mixture of distorted edge and corner-sharing OSrLa3 tetrahedra.

36 MATERIALS SCIENCE↗