Materials Data on SrLa2O4 by Materials Project

Abstract

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.