Materials Data on ZnWO4 by Materials Project

Abstract

ZnWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of W–O bond distances ranging from 1.91–2.26 Å. Zn2+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of Zn–O bond distances ranging from 2.09–2.72 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent W6+ and three equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent W6+ and two equivalent Zn2+ atoms. In the third O2- site, O2- is bonded to two equivalent W6+ and two equivalent Zn2+ atoms to form a mixture of distorted edge and corner-sharing OZn2W2 tetrahedra. In the fourth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent W6+ and two equivalent Zn2+ atoms.