Materials Data on Dy2V2O7 by Materials Project

Abstract

Dy2V2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Dy3+ is bonded to six O2- atoms to form distorted edge-sharing DyO6 pentagonal pyramids. There are a spread of Dy–O bond distances ranging from 2.23–2.31 Å. V4+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.81–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Dy3+ and one V4+ atom. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Dy3+ and two equivalent V4+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V4+ atoms.