Materials Data on Zn2As2O7 by Materials Project

Abstract

Zn2As2O7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 pentagonal pyramids that share corners with six equivalent AsO4 tetrahedra and edges with three equivalent ZnO6 pentagonal pyramids. There are a spread of Zn–O bond distances ranging from 2.05–2.30 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with six equivalent ZnO6 pentagonal pyramids and a cornercorner with one AsO4 tetrahedra. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Zn2+ and one As5+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Zn2+ and one As5+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent As5+ atoms.