Materials Data on Te4O9 by Materials Project

Abstract

Te4O9 crystallizes in the trigonal R-3 space group. The structure is two-dimensional and consists of three Te4O9 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Te+4.50+ sites. In the first Te+4.50+ site, Te+4.50+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.93–2.15 Å. In the second Te+4.50+ site, Te+4.50+ is bonded in an octahedral geometry to six O2- atoms. There is three shorter (1.94 Å) and three longer (1.99 Å) Te–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te+4.50+ atoms.