Materials Data on VAs2H4O9 by Materials Project

Abstract

VAs2H4O9 crystallizes in the tetragonal P4/ncc space group. The structure is two-dimensional and consists of two VAs2H4O9 sheets oriented in the (0, 0, 1) direction. V4+ is bonded in a 5-coordinate geometry to five O2- atoms. There is one shorter (1.64 Å) and four longer (2.01 Å) V–O bond length. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.69 Å) and two longer (1.77 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one V4+ and one As5+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one V4+ atom. In the third O2- site, O2- is bonded in a distorted water-like geometry to one As5+ and one H1+ atom.