Materials Data on Si2SbO6 by Materials Project

Abstract

Si2SbO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Si is bonded to four O atoms to form SiO4 tetrahedra that share corners with three equivalent SbO6 octahedra and corners with two equivalent SiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 40–58°. There are a spread of Si–O bond distances ranging from 1.62–1.69 Å. Sb is bonded to six O atoms to form distorted SbO6 octahedra that share corners with six equivalent SiO4 tetrahedra and edges with two equivalent SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 2.02–2.33 Å. There are three inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to two equivalent Si atoms. In the second O site, O is bonded in a bent 150 degrees geometry to one Si and one Sb atom. In the third O site, O is bonded in a distorted trigonal planar geometry to one Si and two equivalent Sb atoms.