Materials Data on EuHo2O4 by Materials Project

Abstract

Ho2EuO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Ho3+ sites. In the first Ho3+ site, Ho3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Ho–O bond distances ranging from 2.20–2.36 Å. In the second Ho3+ site, Ho3+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing HoO6 octahedra. The corner-sharing octahedra tilt angles range from 51–64°. There are a spread of Ho–O bond distances ranging from 2.24–2.34 Å. Eu2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Eu–O bond distances ranging from 2.59–2.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three Ho3+ and two equivalent Eu2+ atoms. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three Ho3+ and two equivalent Eu2+ atoms. In the third O2- site, O2- is bonded to three equivalent Ho3+ and two equivalent Eu2+ atoms to form a mixture of distorted edge and corner-sharing OEu2Ho3 trigonal bipyramids. In the fourth O2- site, O2- is bonded to three equivalent Ho3+ and two equivalent Eu2+ atoms to form a mixture of edge and corner-sharing OEu2Ho3 square pyramids.