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Title: Materials Data on Bi(TeBr2)2 by Materials Project

Abstract

BiTeBr4Te crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two tellurium molecules and one BiTeBr4 sheet oriented in the (0, 0, 1) direction. In the BiTeBr4 sheet, Bi2+ is bonded to six Br1- atoms to form edge-sharing BiBr6 octahedra. There are a spread of Bi–Br bond distances ranging from 2.71–3.14 Å. Te1+ is bonded in a distorted bent 120 degrees geometry to two Br1- atoms. There are one shorter (3.23 Å) and one longer (3.42 Å) Te–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Bi2+ and one Te1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Bi2+ atom. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Bi2+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Bi2+ and one Te1+ atom.

Publication Date:
Other Number(s):
mp-29127
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Bi(TeBr2)2; Bi-Br-Te
OSTI Identifier:
1203262
DOI:
https://doi.org/10.17188/1203262

Citation Formats

The Materials Project. Materials Data on Bi(TeBr2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203262.
The Materials Project. Materials Data on Bi(TeBr2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1203262
The Materials Project. 2020. "Materials Data on Bi(TeBr2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1203262. https://www.osti.gov/servlets/purl/1203262. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1203262,
title = {Materials Data on Bi(TeBr2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {BiTeBr4Te crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of two tellurium molecules and one BiTeBr4 sheet oriented in the (0, 0, 1) direction. In the BiTeBr4 sheet, Bi2+ is bonded to six Br1- atoms to form edge-sharing BiBr6 octahedra. There are a spread of Bi–Br bond distances ranging from 2.71–3.14 Å. Te1+ is bonded in a distorted bent 120 degrees geometry to two Br1- atoms. There are one shorter (3.23 Å) and one longer (3.42 Å) Te–Br bond lengths. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to one Bi2+ and one Te1+ atom. In the second Br1- site, Br1- is bonded in a single-bond geometry to one Bi2+ atom. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Bi2+ atoms. In the fourth Br1- site, Br1- is bonded in a 2-coordinate geometry to two equivalent Bi2+ and one Te1+ atom.},
doi = {10.17188/1203262},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}