Materials Data on As2SO6 by Materials Project

Abstract

As2SO6 crystallizes in the orthorhombic P2_12_12 space group. The structure is two-dimensional and consists of one As2SO6 sheet oriented in the (0, 1, 0) direction. As5+ is bonded in a distorted T-shaped geometry to three O2- atoms. There are a spread of As–O bond distances ranging from 1.79–1.95 Å. S2+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.45 Å) and two longer (1.55 Å) S–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent As5+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one S2+ atom.