Materials Data on Fe2Te3O10 by Materials Project

Fe2Te3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.94–2.20 Å. In the second Fe3+ site, Fe3+ is bonded to six O2- atoms to form edge-sharing FeO6 octahedra. There are a spread of Fe–O bond distances ranging from 1.79–2.17 Å. There are three inequivalent Te+4.67+ sites. In the first Te+4.67+ site, Te+4.67+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.95 Å. In the second Te+4.67+ site, Te+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 1.89–2.65 Å. In the third Te+4.67+ site, Te+4.67+ is bonded in a 4-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.88–1.94 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Fe3+ and one Te+4.67+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and two Te+4.67+ atoms. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to one Fe3+ and one Te+4.67+ atom. In the ninth O2- site, O2- is bonded in a trigonal non-coplanar geometry to two equivalent Fe3+ and one Te+4.67+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one Fe3+ atom.