Materials Data on ZnW2O5 by Materials Project

Abstract

ZnW2O5 crystallizes in the triclinic P1 space group. The structure is two-dimensional and consists of one W2O5 sheet oriented in the (0, 1, 0) direction and two zinc molecules. In the W2O5 sheet, there are three inequivalent W4+ sites. In the first W4+ site, W4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.09 Å. In the second W4+ site, W4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.09 Å. In the third W4+ site, W4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of W–O bond distances ranging from 1.73–2.09 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent W4+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two W4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W4+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W4+ atoms. The O–W bond length is 2.08 Å. In the sixth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three W4+ atoms. Both O–W bond lengths are 2.09 Å. In the seventh O2- site, O2- is bonded in a single-bond geometry to one W4+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one W4+ atom. The O–W bond length is 1.73 Å. In the ninth O2- site, O2- is bonded in a single-bond geometry to one W4+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one W4+ atom.