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Title: Materials Data on TlBrO3 by Materials Project

Abstract

TlO3Br crystallizes in the monoclinic Cm space group. The structure is one-dimensional and consists of two TlO3Br ribbons oriented in the (1, 0, 0) direction. Tl1+ is bonded to four O2- atoms to form distorted corner-sharing TlO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.16–2.29 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Tl1+ and one Br5+ atom. The O–Br bond length is 1.87 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Tl1+ atom. Br5+ is bonded in a single-bond geometry to one O2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1179184
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; TlBrO3; Br-O-Tl
OSTI Identifier:
1683568
DOI:
https://doi.org/10.17188/1683568

Citation Formats

The Materials Project. Materials Data on TlBrO3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1683568.
The Materials Project. Materials Data on TlBrO3 by Materials Project. United States. doi:https://doi.org/10.17188/1683568
The Materials Project. 2019. "Materials Data on TlBrO3 by Materials Project". United States. doi:https://doi.org/10.17188/1683568. https://www.osti.gov/servlets/purl/1683568. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1683568,
title = {Materials Data on TlBrO3 by Materials Project},
author = {The Materials Project},
abstractNote = {TlO3Br crystallizes in the monoclinic Cm space group. The structure is one-dimensional and consists of two TlO3Br ribbons oriented in the (1, 0, 0) direction. Tl1+ is bonded to four O2- atoms to form distorted corner-sharing TlO4 tetrahedra. There are a spread of Tl–O bond distances ranging from 2.16–2.29 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Tl1+ and one Br5+ atom. The O–Br bond length is 1.87 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Tl1+ atom. Br5+ is bonded in a single-bond geometry to one O2- atom.},
doi = {10.17188/1683568},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}