Materials Data on KFeO3 by Materials Project
KFeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.88–3.24 Å. Fe is bonded to four O atoms to form corner-sharing FeO4 tetrahedra. There are a spread of Fe–O bond distances ranging from 1.67–1.84 Å. There are two inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to three equivalent K and one Fe atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and two equivalent Fe atoms.
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