Materials Data on SrEr2O4 by Materials Project
SrEr2O4 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 2.61–2.89 Å. There are two inequivalent Er3+ sites. In the first Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Er–O bond distances ranging from 2.21–2.34 Å. In the second Er3+ site, Er3+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing ErO6 octahedra. The corner-sharing octahedra tilt angles range from 50–63°. There are a spread of Er–O bond distances ranging from 2.24–2.31 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 Er3+ atoms. In the second O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Er3+ atoms to form a mixture of corner and edge-sharing OSr2Er3 square pyramids. In the third O2- site, O2- is bonded in a 5-coordinate geometry to two equivalent Sr2+ and three Er3+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Sr2+ and three equivalent Er3+ atoms to form a mixture of distorted corner and edge-sharing OSr2Er3 trigonal bipyramids.