U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta4C3 by Materials Project
Abstract
Ta4C3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Ta–C bond lengths are 2.22 Å. In the second Ta3+ site, Ta3+ is bonded to six equivalent C4- atoms to form corner-sharing TaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.22 Å. C4- is bonded to six Ta3+ atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1025192
- 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; C-Ta; Ta4C3; crystal structure
- OSTI Identifier:
- 1355252
- DOI:
- https://doi.org/10.17188/1355252
Citation Formats
Materials Data on Ta4C3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355252.
Materials Data on Ta4C3 by Materials Project. United States. doi:https://doi.org/10.17188/1355252
2020.
"Materials Data on Ta4C3 by Materials Project". United States. doi:https://doi.org/10.17188/1355252. https://www.osti.gov/servlets/purl/1355252. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1355252,
title = {Materials Data on Ta4C3 by Materials Project},
abstractNote = {Ta4C3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ta3+ sites. In the first Ta3+ site, Ta3+ is bonded in a square co-planar geometry to four equivalent C4- atoms. All Ta–C bond lengths are 2.22 Å. In the second Ta3+ site, Ta3+ is bonded to six equivalent C4- atoms to form corner-sharing TaC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ta–C bond lengths are 2.22 Å. C4- is bonded to six Ta3+ atoms to form a mixture of edge and corner-sharing CTa6 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1355252},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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