Materials Data on SbO2 by Materials Project

Abstract

SbO2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of two SbO2 sheets oriented in the (0, 0, 1) direction. there are four inequivalent Sb sites. In the first Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with two equivalent SbO6 octahedra and edges with four SbO5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sb–O bond distances ranging from 2.07–2.28 Å. In the second Sb site, Sb is bonded to five O atoms to form distorted SbO5 square pyramids that share corners with two equivalent SbO6 octahedra and edges with four SbO5 square pyramids. The corner-sharing octahedral tilt angles are 48°. There are a spread of Sb–O bond distances ranging from 2.08–2.28 Å. In the third Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO5 square pyramids and edges with four SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. In the fourth Sb site, Sb is bonded to six O atoms to form SbO6 octahedra that share corners with two equivalent SbO5 square pyramids and edges with four SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.95–2.17 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the second O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the third O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the fourth O site, O is bonded in a 3-coordinate geometry to three Sb atoms. In the fifth O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the sixth O site, O is bonded in a trigonal non-coplanar geometry to three Sb atoms. In the seventh O site, O is bonded in a water-like geometry to two equivalent Sb atoms. In the eighth O site, O is bonded in a water-like geometry to two equivalent Sb atoms.