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Materials Data on Si2SbO6 by Materials Project

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.

36 MATERIALS SCIENCE↗

Materials Data on Si2SbO6 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗