Materials Data on SrDyCoO4 by Materials Project

Abstract

SrDyCoO4 is (La,Ba)CuO4-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.37–2.70 Å. Dy3+ is bonded in a 1-coordinate geometry to nine O2- atoms. There are a spread of Dy–O bond distances ranging from 2.21–2.75 Å. Co3+ is bonded to six O2- atoms to form corner-sharing CoO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Co–O bond distances ranging from 1.89–2.25 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, two equivalent Dy3+, and two equivalent Co3+ atoms to form distorted OSr2Dy2Co2 octahedra that share corners with eight OSr3Dy2Co octahedra, edges with two equivalent OSr2Dy2Co2 octahedra, and faces with six OSr3Dy2Co octahedra. The corner-sharing octahedra tilt angles range from 0–56°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two equivalent Sr2+, three equivalent Dy3+, and one Co3+ atom. In the third O2- site, O2- is bonded to three equivalent Sr2+, two equivalent Dy3+, and one Co3+ atom to form distorted OSr3Dy2Co octahedra that share corners with sixteen OSr3Dy2Co octahedra, edges with two equivalent OSr3Dy2Co octahedra, and faces with four equivalent OSr2Dy2Co2 octahedra. The corner-sharing octahedra tilt angles range from 7–56°.