Materials Data on EuInO3 by Materials Project

Abstract

EuInO3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.38–2.76 Å. In the second Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Eu–O bond distances ranging from 2.36–2.64 Å. In3+ is bonded to five O2- atoms to form corner-sharing InO5 trigonal bipyramids. There are a spread of In–O bond distances ranging from 2.11–2.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to three Eu3+ and one In3+ atom to form OEu3In tetrahedra that share corners with ten OEu3In tetrahedra, corners with two equivalent OEuIn3 trigonal pyramids, edges with three equivalent OEu3In tetrahedra, and edges with two equivalent OEuIn3 trigonal pyramids. In the second O2- site, O2- is bonded to three Eu3+ and one In3+ atom to form OEu3In tetrahedra that share corners with ten OEu3In tetrahedra, corners with four equivalent OEuIn3 trigonal pyramids, edges with three equivalent OEu3In tetrahedra, and an edgeedge with one OEuIn3 trigonal pyramid. In the third O2- site, O2- is bonded to one Eu3+ and three equivalent In3+ atoms to form distorted OEuIn3 trigonal pyramids that share corners with six equivalent OEu3In tetrahedra, corners with six equivalent OEuIn3 trigonal pyramids, and edges with three equivalent OEu3In tetrahedra. In the fourth O2- site, O2- is bonded to one Eu3+ and three equivalent In3+ atoms to form distorted OEuIn3 trigonal pyramids that share corners with six equivalent OEu3In tetrahedra, corners with six OEuIn3 trigonal pyramids, and edges with three equivalent OEu3In tetrahedra.