Materials Data on Te6Br2O11 by Materials Project

Abstract

Te6O11Br2 crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of two Te6O11Br2 ribbons oriented in the (0, 0, 1) direction. there are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Br1- atoms. There is two shorter (1.93 Å) and one longer (1.98 Å) Te–O bond length. Both Te–Br bond lengths are 3.12 Å. In the second 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 1.93–2.21 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the third O2- site, O2- is bonded in a distorted water-like geometry to two equivalent Te4+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Te4+ atoms. Br1- is bonded in a 8-coordinate geometry to two equivalent Te4+ atoms.