Materials Data on Zn(Co2O5)2 by Materials Project

Abstract

Zn(Co2O5)2 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one Zn(Co2O5)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Co sites. In the first Co site, Co is bonded to six O atoms to form CoO6 octahedra that share edges with two equivalent ZnO6 octahedra and edges with four CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.88–1.90 Å. In the second Co site, Co is bonded to six O atoms to form CoO6 octahedra that share an edgeedge with one ZnO6 octahedra and edges with five CoO6 octahedra. There are a spread of Co–O bond distances ranging from 1.87–1.92 Å. Zn is bonded to six O atoms to form ZnO6 octahedra that share edges with six CoO6 octahedra. There are four shorter (2.00 Å) and two longer (2.04 Å) Zn–O bond lengths. There are three inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to two Co and one Zn atom. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Co and one Zn atom. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Co atoms.