Materials Data on Dy2CrFeO6 by Materials Project

Abstract

Dy2CrFeO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Dy3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Dy–O bond distances ranging from 2.24–2.73 Å. Cr3+ is bonded to six O2- atoms to form CrO6 octahedra that share corners with six equivalent FeO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are a spread of Cr–O bond distances ranging from 2.02–2.04 Å. Fe3+ is bonded to six O2- atoms to form FeO6 octahedra that share corners with six equivalent CrO6 octahedra. The corner-sharing octahedra tilt angles range from 36–38°. There are four shorter (2.03 Å) and two longer (2.04 Å) Fe–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Cr3+, and one Fe3+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Dy3+, one Cr3+, and one Fe3+ atom. In the third O2- site, O2- is bonded to two equivalent Dy3+, one Cr3+, and one Fe3+ atom to form distorted corner-sharing ODy2CrFe trigonal pyramids.