Materials Data on InBiO3 by Materials Project

Abstract

BiInO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. In3+ is bonded to six O2- atoms to form corner-sharing InO6 octahedra. The corner-sharing octahedra tilt angles range from 40–43°. There are four shorter (2.21 Å) and two longer (2.23 Å) In–O bond lengths. Bi3+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.23–2.90 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent In3+ and two equivalent Bi3+ atoms to form distorted corner-sharing OIn2Bi2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent In3+ and three equivalent Bi3+ atoms.