Materials Data on Zn2W2O5 by Materials Project

Abstract

W2Zn2O5 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of two W2Zn2O5 sheets oriented in the (0, 0, 1) direction. W3+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of W–O bond distances ranging from 2.00–2.05 Å. Zn2+ is bonded in a distorted trigonal planar geometry to three O2- atoms. There is two shorter (1.93 Å) and one longer (1.99 Å) Zn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W3+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent W3+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent W3+ atoms.