Materials Data on Sr3CoRuO6 by Materials Project

Abstract

Sr3RuCoO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.82 Å. Ru4+ is bonded to six equivalent O2- atoms to form RuO6 octahedra that share faces with two equivalent CoO6 pentagonal pyramids. All Ru–O bond lengths are 2.03 Å. Co2+ is bonded to six equivalent O2- atoms to form distorted CoO6 pentagonal pyramids that share faces with two equivalent RuO6 octahedra. All Co–O bond lengths are 2.23 Å. O2- is bonded to four equivalent Sr2+, one Ru4+, and one Co2+ atom to form a mixture of distorted corner, edge, and face-sharing OSr4CoRu octahedra. The corner-sharing octahedra tilt angles range from 0–65°.