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Title: Materials Data on TeS7Br2 by Materials Project

Abstract

TeS7(Br)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four TeS7 clusters. In each TeS7 cluster, Te4+ is bonded in a water-like geometry to two equivalent S2- atoms. Both Te–S bond lengths are 2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Te4+ and one S2- atom. The S–S bond length is 2.01 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.06 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two equivalent S2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-1201162
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; TeS7Br2; Br-S-Te
OSTI Identifier:
1680351
DOI:
https://doi.org/10.17188/1680351

Citation Formats

The Materials Project. Materials Data on TeS7Br2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680351.
The Materials Project. Materials Data on TeS7Br2 by Materials Project. United States. doi:https://doi.org/10.17188/1680351
The Materials Project. 2020. "Materials Data on TeS7Br2 by Materials Project". United States. doi:https://doi.org/10.17188/1680351. https://www.osti.gov/servlets/purl/1680351. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1680351,
title = {Materials Data on TeS7Br2 by Materials Project},
author = {The Materials Project},
abstractNote = {TeS7(Br)2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrobromic acid molecules and four TeS7 clusters. In each TeS7 cluster, Te4+ is bonded in a water-like geometry to two equivalent S2- atoms. Both Te–S bond lengths are 2.53 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted water-like geometry to one Te4+ and one S2- atom. The S–S bond length is 2.01 Å. In the second S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.09 Å. In the third S2- site, S2- is bonded in a water-like geometry to two S2- atoms. The S–S bond length is 2.06 Å. In the fourth S2- site, S2- is bonded in a water-like geometry to two equivalent S2- atoms.},
doi = {10.17188/1680351},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}