Materials Data on VAs2H4O9 by Materials Project

Abstract

VAs2H4O9 crystallizes in the tetragonal I4cm space group. The structure is three-dimensional. V4+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.45 Å. As5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.71 Å) and two longer (1.74 Å) As–O bond length. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one H1+ atom. The O–H bond length is 0.98 Å. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent V4+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V4+ and one As5+ atom.