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Title: Materials Data on TcBr3 by Materials Project

Abstract

TcBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (1, 0, 0) direction. Tc3+ is bonded to six Br1- atoms to form face-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.53–2.57 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-568753
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; TcBr3; Br-Tc
OSTI Identifier:
1274677
DOI:
https://doi.org/10.17188/1274677

Citation Formats

The Materials Project. Materials Data on TcBr3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274677.
The Materials Project. Materials Data on TcBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1274677
The Materials Project. 2020. "Materials Data on TcBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1274677. https://www.osti.gov/servlets/purl/1274677. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1274677,
title = {Materials Data on TcBr3 by Materials Project},
author = {The Materials Project},
abstractNote = {TcBr3 crystallizes in the orthorhombic Pmmn space group. The structure is one-dimensional and consists of two TcBr3 ribbons oriented in the (1, 0, 0) direction. Tc3+ is bonded to six Br1- atoms to form face-sharing TcBr6 octahedra. There are a spread of Tc–Br bond distances ranging from 2.53–2.57 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms. In the third Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Tc3+ atoms. In the fourth Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Tc3+ atoms.},
doi = {10.17188/1274677},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}