U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuTeSBr by Materials Project
Abstract
CuTeSBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu1+ is bonded in a distorted trigonal non-coplanar geometry to one Te2- and two equivalent Br1- atoms. The Cu–Te bond length is 2.54 Å. There are one shorter (2.46 Å) and one longer (2.54 Å) Cu–Br bond lengths. Te2- is bonded in a 5-coordinate geometry to one Cu1+, two equivalent S2+, and two equivalent Br1- atoms. There are one shorter (2.41 Å) and one longer (2.56 Å) Te–S bond lengths. There are one shorter (3.35 Å) and one longer (3.37 Å) Te–Br bond lengths. S2+ is bonded in a water-like geometry to two equivalent Te2- atoms. Br1- is bonded in a distorted water-like geometry to two equivalent Cu1+ and two equivalent Te2- atoms.
- Publication Date:
- Other Number(s):
- mp-1213133
- 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-Cu-S-Te; CuTeSBr; crystal structure
- OSTI Identifier:
- 1722172
- DOI:
- https://doi.org/10.17188/1722172
Citation Formats
Materials Data on CuTeSBr by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722172.
Materials Data on CuTeSBr by Materials Project. United States. doi:https://doi.org/10.17188/1722172
2020.
"Materials Data on CuTeSBr by Materials Project". United States. doi:https://doi.org/10.17188/1722172. https://www.osti.gov/servlets/purl/1722172. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1722172,
title = {Materials Data on CuTeSBr by Materials Project},
abstractNote = {CuTeSBr crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cu1+ is bonded in a distorted trigonal non-coplanar geometry to one Te2- and two equivalent Br1- atoms. The Cu–Te bond length is 2.54 Å. There are one shorter (2.46 Å) and one longer (2.54 Å) Cu–Br bond lengths. Te2- is bonded in a 5-coordinate geometry to one Cu1+, two equivalent S2+, and two equivalent Br1- atoms. There are one shorter (2.41 Å) and one longer (2.56 Å) Te–S bond lengths. There are one shorter (3.35 Å) and one longer (3.37 Å) Te–Br bond lengths. S2+ is bonded in a water-like geometry to two equivalent Te2- atoms. Br1- is bonded in a distorted water-like geometry to two equivalent Cu1+ and two equivalent Te2- atoms.},
doi = {10.17188/1722172},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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