Materials Data on CuWO4 by Materials Project

Abstract

CuWO4 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one CuWO4 sheet oriented in the (0, 0, 1) direction. W6+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.08 Å. Cu2+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Cu–O bond distances ranging from 1.90–2.01 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to one W6+ and one Cu2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one W6+ atom. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to one W6+ and two equivalent Cu2+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent W6+ and one Cu2+ atom.