Materials Data on Sb6O13 by Materials Project

Abstract

Sb6O13 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. there are three inequivalent Sb+4.33+ sites. In the first Sb+4.33+ site, Sb+4.33+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–48°. There are a spread of Sb–O bond distances ranging from 1.96–2.00 Å. In the second Sb+4.33+ site, Sb+4.33+ is bonded to six O2- atoms to form corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–48°. There are a spread of Sb–O bond distances ranging from 1.96–2.04 Å. In the third Sb+4.33+ site, Sb+4.33+ is bonded in a 1-coordinate geometry to seven O2- atoms. There are a spread of Sb–O bond distances ranging from 1.96–2.71 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four Sb+4.33+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Sb+4.33+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+4.33+ atoms. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to four Sb+4.33+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb+4.33+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb+4.33+ atoms. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sb+4.33+ atoms.