Materials Data on Sb2N3Cl7O by Materials Project

Abstract

Sb2N3OCl7 crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Sb5+ is bonded to one O2- and four Cl1- atoms to form a mixture of distorted edge and corner-sharing SbCl4O trigonal bipyramids. The Sb–O bond length is 1.97 Å. There are a spread of Sb–Cl bond distances ranging from 2.37–2.70 Å. There are four inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent O2- atoms. Both N–O bond lengths are 2.69 Å. In the second N+0.33- site, N+0.33- is bonded in a square co-planar geometry to four equivalent Cl1- atoms. All N–Cl bond lengths are 3.22 Å. In the third N+0.33- site, N+0.33- is bonded in a 5-coordinate geometry to seven Cl1- atoms. There are a spread of N–Cl bond distances ranging from 3.39–3.66 Å. In the fourth N+0.33- site, N+0.33- is bonded in a distorted single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.62 Å. O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Sb5+ and one N+0.33- atom. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted L-shaped geometry to two equivalent Sb5+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to two N+0.33- atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to two equivalent Sb5+ and two equivalent N+0.33- atoms. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Sb5+ and one N+0.33- atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Sb5+ and two N+0.33- atoms.