Materials Data on CaSbO3 by Materials Project

Abstract

CaSbO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to eight O atoms. There are a spread of Ca–O bond distances ranging from 2.36–2.89 Å. Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–37°. There are four shorter (2.15 Å) and two longer (2.16 Å) Sb–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Ca and two equivalent Sb atoms to form distorted corner-sharing OCa2Sb2 tetrahedra. In the second O site, O is bonded in a 5-coordinate geometry to three equivalent Ca and two equivalent Sb atoms.