Materials Data on ZnSb2Cl2O3 by Materials Project

Abstract

ZnSb2O3Cl2 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two ZnSb2O3Cl2 sheets oriented in the (0, 0, 1) direction. Zn2+ is bonded in a 4-coordinate geometry to two equivalent O2- and two Cl1- atoms. Both Zn–O bond lengths are 2.11 Å. Both Zn–Cl bond lengths are 2.25 Å. There are two inequivalent Sb3+ sites. In the first Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.03 Å) Sb–O bond lengths. In the second Sb3+ site, Sb3+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are one shorter (1.98 Å) and two longer (2.05 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Zn2+ and two Sb3+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Zn2+ atom.