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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-29251
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Te6Br2O11; Br-O-Te
OSTI Identifier:
1203629
DOI:
https://doi.org/10.17188/1203629

Citation Formats

The Materials Project. Materials Data on Te6Br2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203629.
The Materials Project. Materials Data on Te6Br2O11 by Materials Project. United States. doi:https://doi.org/10.17188/1203629
The Materials Project. 2020. "Materials Data on Te6Br2O11 by Materials Project". United States. doi:https://doi.org/10.17188/1203629. https://www.osti.gov/servlets/purl/1203629. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1203629,
title = {Materials Data on Te6Br2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1203629},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}