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Title: Materials Data on TiBrO by Materials Project

Abstract

TiOBr crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one TiOBr sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.21 Å) and four longer (2.27 Å) Ti–O bond lengths. Both Ti–Br bond lengths are 2.70 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Ti3+ atoms. Br1- is bonded in a 6-coordinate geometry to two equivalent Ti3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1205296
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; TiBrO; Br-O-Ti
OSTI Identifier:
1710074
DOI:
https://doi.org/10.17188/1710074

Citation Formats

The Materials Project. Materials Data on TiBrO by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1710074.
The Materials Project. Materials Data on TiBrO by Materials Project. United States. doi:https://doi.org/10.17188/1710074
The Materials Project. 2019. "Materials Data on TiBrO by Materials Project". United States. doi:https://doi.org/10.17188/1710074. https://www.osti.gov/servlets/purl/1710074. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1710074,
title = {Materials Data on TiBrO by Materials Project},
author = {The Materials Project},
abstractNote = {TiOBr crystallizes in the orthorhombic Pmma space group. The structure is two-dimensional and consists of one TiOBr sheet oriented in the (0, 0, 1) direction. Ti3+ is bonded in a distorted body-centered cubic geometry to six equivalent O2- and two equivalent Br1- atoms. There are two shorter (2.21 Å) and four longer (2.27 Å) Ti–O bond lengths. Both Ti–Br bond lengths are 2.70 Å. O2- is bonded in a 6-coordinate geometry to six equivalent Ti3+ atoms. Br1- is bonded in a 6-coordinate geometry to two equivalent Ti3+ atoms.},
doi = {10.17188/1710074},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}