Materials Data on ZnFeO3 by Materials Project

FeZnO3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe is bonded to six O atoms to form corner-sharing FeO6 octahedra. The corner-sharing octahedra tilt angles range from 41–42°. There are a spread of Fe–O bond distances ranging from 1.94–2.03 Å. Zn is bonded in a distorted rectangular see-saw-like geometry to four O atoms. There are three shorter (2.06 Å) and one longer (2.11 Å) Zn–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to two equivalent Fe and two equivalent Zn atoms to form distorted corner-sharing OZn2Fe2 tetrahedra. In the second O site, O is bonded in a 3-coordinate geometry to two equivalent Fe and one Zn atom.