Materials Data on Fe(TeO3)2 by Materials Project

Abstract

Fe(TeO3)2 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional and consists of two Fe(TeO3)2 frameworks. Fe2+ is bonded to six O2- atoms to form distorted edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.90–2.11 Å. Te5+ is bonded in a 3-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.44 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Fe2+ and one Te5+ atom. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Fe2+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe2+ and two equivalent Te5+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te5+ atoms.