U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuTeSeI by Materials Project
Abstract
CuTeSeI crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CuTeSeI sheets oriented in the (0, 0, 1) direction. Cu3+ is bonded to one Te1-, one Se1-, and two equivalent I1- atoms to form corner-sharing CuTeSeI2 tetrahedra. The Cu–Te bond length is 2.56 Å. The Cu–Se bond length is 2.41 Å. There are one shorter (2.63 Å) and one longer (2.69 Å) Cu–I bond lengths. Te1- is bonded in a 5-coordinate geometry to one Cu3+ and two equivalent Se1- atoms. There are one shorter (2.61 Å) and one longer (2.67 Å) Te–Se bond lengths. Se1- is bonded in a distorted trigonal non-coplanar geometry to one Cu3+ and two equivalent Te1- atoms. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1213068
- 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; Cu-I-Se-Te; CuTeSeI; crystal structure
- OSTI Identifier:
- 1651635
- DOI:
- https://doi.org/10.17188/1651635
Citation Formats
Materials Data on CuTeSeI by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1651635.
Materials Data on CuTeSeI by Materials Project. United States. doi:https://doi.org/10.17188/1651635
2020.
"Materials Data on CuTeSeI by Materials Project". United States. doi:https://doi.org/10.17188/1651635. https://www.osti.gov/servlets/purl/1651635. Pub date:Sat May 09 04:00:00 UTC 2020
@article{osti_1651635,
title = {Materials Data on CuTeSeI by Materials Project},
abstractNote = {CuTeSeI crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two CuTeSeI sheets oriented in the (0, 0, 1) direction. Cu3+ is bonded to one Te1-, one Se1-, and two equivalent I1- atoms to form corner-sharing CuTeSeI2 tetrahedra. The Cu–Te bond length is 2.56 Å. The Cu–Se bond length is 2.41 Å. There are one shorter (2.63 Å) and one longer (2.69 Å) Cu–I bond lengths. Te1- is bonded in a 5-coordinate geometry to one Cu3+ and two equivalent Se1- atoms. There are one shorter (2.61 Å) and one longer (2.67 Å) Te–Se bond lengths. Se1- is bonded in a distorted trigonal non-coplanar geometry to one Cu3+ and two equivalent Te1- atoms. I1- is bonded in a distorted water-like geometry to two equivalent Cu3+ atoms.},
doi = {10.17188/1651635},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}