Materials Data on Te3As2O11 by Materials Project

As2Te3O11 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one As2Te3O11 sheet oriented in the (0, -1, 1) direction. there are two inequivalent As5+ sites. In the first As5+ site, As5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of As–O bond distances ranging from 1.71–2.47 Å. In the second As5+ site, As5+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of As–O bond distances ranging from 1.66–2.06 Å. There are three inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.38–2.23 Å. In the second Te4+ site, Te4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.48–2.21 Å. In the third Te4+ site, Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.52–2.18 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one As5+ and one Te4+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one As5+ and one Te4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Te4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one As5+ and one Te4+ atom. In the eighth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one As5+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to one As5+ and one Te4+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one Te4+ atom. In the eleventh O2- site, O2- is bonded in a bent 120 degrees geometry to one As5+ and one Te4+ atom.