U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-1201162
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-S-Te; TeS7Br2; crystal structure
- OSTI Identifier:
- 1680351
- DOI:
- https://doi.org/10.17188/1680351
Citation Formats
Materials Data on TeS7Br2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680351.
Materials Data on TeS7Br2 by Materials Project. United States. doi:https://doi.org/10.17188/1680351
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 04:00:00 UTC 2020
@article{osti_1680351,
title = {Materials Data on TeS7Br2 by 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}
}