Materials Data on SrLa2O4 by Materials Project

Abstract

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.