Materials Data on KFeO2 by Materials Project

Abstract

KFeO2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.61–3.13 Å. Fe3+ is bonded to four O2- atoms to form a mixture of edge and corner-sharing FeO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.91–1.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a rectangular see-saw-like geometry to two equivalent K1+ and two equivalent Fe3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four equivalent K1+ and two equivalent Fe3+ atoms.