Materials Data on Sr2YCoO6 by Materials Project

Abstract

Sr2YCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent YO6 octahedra, and faces with four equivalent CoO6 octahedra. There are eight shorter (2.85 Å) and four longer (2.90 Å) Sr–O bond lengths. Y is bonded to six O atoms to form YO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.18 Å) and two longer (2.21 Å) Y–O bond lengths. Co is bonded to six O atoms to form CoO6 octahedra that share corners with six equivalent YO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There is two shorter (1.77 Å) and four longer (1.91 Å) Co–O bond length. There are two inequivalent O sites. In the first O site, O is bonded in a distorted linear geometry to four equivalent Sr, one Y, and one Co atom. In the second O site, O is bonded in a distorted linear geometry to four equivalent Sr, one Y, and one Co atom.