Materials Data on SbO2 by Materials Project

Abstract

SbO2 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 5-coordinate geometry to five O atoms. There are a spread of Sb–O bond distances ranging from 2.07–2.60 Å. In the second Sb site, Sb is bonded to six O atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 44–45°. There are a spread of Sb–O bond distances ranging from 1.98–2.05 Å. There are four inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the second O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the third O site, O is bonded in a distorted trigonal planar geometry to three Sb atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to two equivalent Sb atoms.