Materials Data on SbAsO4 by Materials Project

Abstract

SbAsO4 crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of one SbAsO4 sheet oriented in the (0, 0, 1) direction. Sb3+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are a spread of Sb–O bond distances ranging from 2.03–2.20 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.70–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Sb3+ and one As5+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Sb3+ and one As5+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb3+ and one As5+ atom.