Materials Data on Sb8Cl2O15 by Materials Project

Abstract

Sb8O13Cl2O2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional and consists of two hydrogen peroxide molecules and one Sb8O13Cl2 framework. In the Sb8O13Cl2 framework, there are four inequivalent Sb4+ sites. In the first Sb4+ site, Sb4+ is bonded to five O2- atoms to form corner-sharing SbO5 square pyramids. There are a spread of Sb–O bond distances ranging from 1.94–2.05 Å. In the second Sb4+ site, Sb4+ is bonded in a 5-coordinate geometry to four O2- and one Cl1- atom. There are a spread of Sb–O bond distances ranging from 1.95–2.55 Å. The Sb–Cl bond length is 3.09 Å. In the third Sb4+ site, Sb4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.93–2.33 Å. In the fourth Sb4+ site, Sb4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 1.92–2.22 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sb4+ atoms. In the second O2- site, O2- is bonded in a distorted linear geometry to two Sb4+ and two Cl1- atoms. There are one shorter (3.28 Å) and one longer (3.43 Å) O–Cl bond lengths. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb4+ and one Cl1- atom. The O–Cl bond length is 3.23 Å. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb4+ and one Cl1- atom. The O–Cl bond length is 3.38 Å. In the fifth O2- site, O2- is bonded in a distorted trigonal planar geometry to three Sb4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Sb4+ and one Cl1- atom. The O–Cl bond length is 3.45 Å. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three Sb4+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 4-coordinate geometry to four O2- atoms. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Sb4+ and six O2- atoms.