U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TaCoTe2 by Materials Project
Abstract
TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.
- Publication Date:
- Other Number(s):
- mp-28846
- 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; Co-Ta-Te; TaCoTe2; crystal structure
- OSTI Identifier:
- 1202930
- DOI:
- https://doi.org/10.17188/1202930
Citation Formats
Materials Data on TaCoTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202930.
Materials Data on TaCoTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1202930
2020.
"Materials Data on TaCoTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1202930. https://www.osti.gov/servlets/purl/1202930. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1202930,
title = {Materials Data on TaCoTe2 by Materials Project},
abstractNote = {TaCoTe2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one TaCoTe2 sheet oriented in the (0, 0, 1) direction. Ta3+ is bonded to five Te2- atoms to form a mixture of distorted edge and corner-sharing TaTe5 trigonal bipyramids. There are a spread of Ta–Te bond distances ranging from 2.82–2.95 Å. Co1+ is bonded in a rectangular see-saw-like geometry to four Te2- atoms. There are a spread of Co–Te bond distances ranging from 2.55–2.67 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to three equivalent Ta3+ and two equivalent Co1+ atoms. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to two equivalent Ta3+ and two equivalent Co1+ atoms.},
doi = {10.17188/1202930},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}