Materials Data on Eu2Ir2O7 by Materials Project

Abstract

Eu2Ir2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Eu3+ is bonded to eight O2- atoms to form distorted EuO8 hexagonal bipyramids that share edges with six equivalent EuO8 hexagonal bipyramids and edges with six equivalent IrO6 octahedra. There are two shorter (2.27 Å) and six longer (2.58 Å) Eu–O bond lengths. Ir4+ is bonded to six equivalent O2- atoms to form IrO6 octahedra that share corners with six equivalent IrO6 octahedra and edges with six equivalent EuO8 hexagonal bipyramids. The corner-sharing octahedral tilt angles are 48°. All Ir–O bond lengths are 2.02 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Eu3+ atoms to form corner-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Eu3+ and two equivalent Ir4+ atoms.