U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2Se8I by Materials Project
Abstract
(TaSe4)2I crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Ta+4.50+ sites. In the first Ta+4.50+ site, Ta+4.50+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.62 Å) and four longer (2.73 Å) Ta–Se bond lengths. In the second Ta+4.50+ site, Ta+4.50+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.65 Å) and four longer (2.70 Å) Ta–Se bond lengths. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.50+ atoms. In the second Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.50+ and one I1- atom. The Se–I bond length is 3.33 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Se1- atoms.
- Publication Date:
- Other Number(s):
- mp-30531
- 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; I-Se-Ta; Ta2Se8I; crystal structure
- OSTI Identifier:
- 1204930
- DOI:
- https://doi.org/10.17188/1204930
Citation Formats
Materials Data on Ta2Se8I by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204930.
Materials Data on Ta2Se8I by Materials Project. United States. doi:https://doi.org/10.17188/1204930
2020.
"Materials Data on Ta2Se8I by Materials Project". United States. doi:https://doi.org/10.17188/1204930. https://www.osti.gov/servlets/purl/1204930. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1204930,
title = {Materials Data on Ta2Se8I by Materials Project},
abstractNote = {(TaSe4)2I crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Ta+4.50+ sites. In the first Ta+4.50+ site, Ta+4.50+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.62 Å) and four longer (2.73 Å) Ta–Se bond lengths. In the second Ta+4.50+ site, Ta+4.50+ is bonded in a 8-coordinate geometry to eight Se1- atoms. There are four shorter (2.65 Å) and four longer (2.70 Å) Ta–Se bond lengths. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.50+ atoms. In the second Se1- site, Se1- is bonded in a 2-coordinate geometry to two Ta+4.50+ and one I1- atom. The Se–I bond length is 3.33 Å. I1- is bonded in a 4-coordinate geometry to four equivalent Se1- atoms.},
doi = {10.17188/1204930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}