Materials Data on KBiO3 by Materials Project

Abstract

KBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent O2- atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent BiO6 octahedra. All K–O bond lengths are 3.03 Å. Bi5+ is bonded to six equivalent O2- atoms to form BiO6 octahedra that share corners with six equivalent BiO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Bi–O bond lengths are 2.14 Å. O2- is bonded to four equivalent K1+ and two equivalent Bi5+ atoms to form a mixture of distorted face, edge, and corner-sharing OK4Bi2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.