Materials Data on KCoO3 by Materials Project

Abstract

KCoO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent CoO6 octahedra. All K–O bond lengths are 2.74 Å. Co is bonded to six equivalent O atoms to form CoO6 octahedra that share corners with six equivalent CoO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Co–O bond lengths are 1.94 Å. O is bonded to four equivalent K and two equivalent Co atoms to form a mixture of distorted face, edge, and corner-sharing OK4Co2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.