Materials Data on K2FeO4 by Materials Project

Abstract

K2FeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 3-coordinate geometry to three O atoms. There are a spread of K–O bond distances ranging from 2.70–2.83 Å. In the second K site, K is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of K–O bond distances ranging from 2.71–3.27 Å. Fe is bonded in a tetrahedral geometry to four O atoms. There is two shorter (1.66 Å) and two longer (1.67 Å) Fe–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to two equivalent K and one Fe atom. In the second O site, O is bonded in a distorted single-bond geometry to two K and one Fe atom. In the third O site, O is bonded in a distorted single-bond geometry to three K and one Fe atom. In the fourth O site, O is bonded in a distorted single-bond geometry to three K and one Fe atom.