Materials Data on K2FeO4 by Materials Project

Abstract

K2FeO4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.76–3.20 Å. In the second K site, K is bonded in a 1-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.77–3.30 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There are a spread of Fe–O bond distances ranging from 1.65–1.67 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to five K and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to five K and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to four K and one Fe atom.