Materials Data on As2O3 by Materials Project

Abstract

As2O3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of two As2O3 ribbons oriented in the (1, 0, 0) direction. there are two inequivalent As3+ sites. In the first As3+ site, As3+ is bonded in an L-shaped geometry to two O2- atoms. There is one shorter (1.81 Å) and one longer (1.91 Å) As–O bond length. In the second As3+ site, As3+ is bonded in an L-shaped geometry to two O2- atoms. There is one shorter (1.86 Å) and one longer (1.87 Å) As–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one As3+ and one O2- atom. The O–O bond length is 1.48 Å. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two As3+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one As3+ and one O2- atom.