Materials Data on ZnSeO4 by Materials Project

Abstract

ZnSeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zn2+ is bonded in a distorted rectangular see-saw-like geometry to six O2- atoms. There are a spread of Zn–O bond distances ranging from 1.99–2.65 Å. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.67–1.69 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Zn2+ and one Se6+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Zn2+ and one Se6+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Zn2+ and one Se6+ atom.