U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BiTeI by Materials Project
Abstract
BiTeI is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. All Bi–Te bond lengths are 3.07 Å. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ and three equivalent I1- atoms. All Te–I bond lengths are 4.41 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ and three equivalent Te2- atoms.
- Publication Date:
- Other Number(s):
- mp-22965
- 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; Bi-I-Te; BiTeI; crystal structure
- OSTI Identifier:
- 1199121
- DOI:
- https://doi.org/10.17188/1199121
Citation Formats
Materials Data on BiTeI by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199121.
Materials Data on BiTeI by Materials Project. United States. doi:https://doi.org/10.17188/1199121
2020.
"Materials Data on BiTeI by Materials Project". United States. doi:https://doi.org/10.17188/1199121. https://www.osti.gov/servlets/purl/1199121. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1199121,
title = {Materials Data on BiTeI by Materials Project},
abstractNote = {BiTeI is Calaverite-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Bi3+ is bonded to three equivalent Te2- and three equivalent I1- atoms to form edge-sharing BiTe3I3 octahedra. All Bi–Te bond lengths are 3.07 Å. All Bi–I bond lengths are 3.30 Å. Te2- is bonded in a 6-coordinate geometry to three equivalent Bi3+ and three equivalent I1- atoms. All Te–I bond lengths are 4.41 Å. I1- is bonded in a 3-coordinate geometry to three equivalent Bi3+ and three equivalent Te2- atoms.},
doi = {10.17188/1199121},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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