Materials Data on Na2FeO2 by Materials Project

Abstract

Na2FeO2 is Ilmenite-like structured and crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to four equivalent O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 trigonal pyramids. There are two shorter (2.35 Å) and two longer (2.37 Å) Na–O bond lengths. Fe2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Fe–O bond lengths are 2.04 Å. O2- is bonded to four equivalent Na1+ and two equivalent Fe2+ atoms to form a mixture of edge and corner-sharing ONa4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 0–29°.