Materials Data on Eu3ReO7 by Materials Project

Abstract

Eu3ReO7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded to six O2- atoms to form distorted EuO6 octahedra that share corners with two equivalent EuO6 octahedra, corners with four equivalent ReO6 octahedra, and edges with two equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 46–67°. There are a spread of Eu–O bond distances ranging from 2.30–2.46 Å. In the second Eu3+ site, Eu3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.42 Å) and four longer (2.81 Å) Eu–O bond lengths. Re5+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with eight equivalent EuO6 octahedra. The corner-sharing octahedra tilt angles range from 14–65°. All Re–O bond lengths are 1.92 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a 4-coordinate geometry to three Eu3+ and one Re5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Re5+ atoms.