Materials Data on FeTe3O8 by Materials Project

FeTe3O8 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. Fe2+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Fe–O bond lengths are 2.02 Å. Te+4.67+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are two shorter (1.90 Å) and two longer (2.15 Å) Te–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Fe2+ and one Te+4.67+ atom. In the second O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Te+4.67+ atoms.