Materials Data on SiBiO3 by Materials Project

Abstract

SiBiO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Si4+ is bonded to six equivalent O2- atoms to form SiO6 octahedra that share corners with six equivalent SiO6 octahedra and faces with eight equivalent BiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Si–O bond lengths are 1.90 Å. Bi2+ is bonded to twelve equivalent O2- atoms to form BiO12 cuboctahedra that share corners with twelve equivalent BiO12 cuboctahedra, faces with six equivalent BiO12 cuboctahedra, and faces with eight equivalent SiO6 octahedra. All Bi–O bond lengths are 2.69 Å. O2- is bonded in a distorted linear geometry to two equivalent Si4+ and four equivalent Bi2+ atoms.