Materials Data on V2H2O5 by Materials Project

Abstract

V2H2O5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of V–O bond distances ranging from 1.81–2.03 Å. H1+ is bonded in a distorted single-bond geometry to two O2- atoms. There is one shorter (1.00 Å) and one longer (1.69 Å) H–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent V4+ atoms. In the second O2- site, O2- is bonded to three equivalent V4+ and one H1+ atom to form a mixture of distorted corner and edge-sharing OV3H tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent V4+ and one H1+ atom.