U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta3Co3C by Materials Project
Abstract
Ta3Co3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a 2-coordinate geometry to six Co and two equivalent C atoms. There are a spread of Ta–Co bond distances ranging from 2.75–2.83 Å. Both Ta–C bond lengths are 2.16 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to six equivalent Ta and six Co atoms. There are three shorter (2.42 Å) and three longer (2.52 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Ta and six equivalent Co atoms to form CoTa6Co6 cuboctahedra that share edges with six equivalent CTa6 octahedra and faces with six equivalent CoTa6Co6 cuboctahedra. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent CTa6 octahedra and edges with six equivalent CoTa6Co6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°.
- Publication Date:
- Other Number(s):
- mp-17158
- 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-Co-Ta; Ta3Co3C; crystal structure
- OSTI Identifier:
- 1192362
- DOI:
- https://doi.org/10.17188/1192362
Citation Formats
Materials Data on Ta3Co3C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192362.
Materials Data on Ta3Co3C by Materials Project. United States. doi:https://doi.org/10.17188/1192362
2020.
"Materials Data on Ta3Co3C by Materials Project". United States. doi:https://doi.org/10.17188/1192362. https://www.osti.gov/servlets/purl/1192362. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1192362,
title = {Materials Data on Ta3Co3C by Materials Project},
abstractNote = {Ta3Co3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a 2-coordinate geometry to six Co and two equivalent C atoms. There are a spread of Ta–Co bond distances ranging from 2.75–2.83 Å. Both Ta–C bond lengths are 2.16 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted q6 geometry to six equivalent Ta and six Co atoms. There are three shorter (2.42 Å) and three longer (2.52 Å) Co–Co bond lengths. In the second Co site, Co is bonded to six equivalent Ta and six equivalent Co atoms to form CoTa6Co6 cuboctahedra that share edges with six equivalent CTa6 octahedra and faces with six equivalent CoTa6Co6 cuboctahedra. C is bonded to six equivalent Ta atoms to form CTa6 octahedra that share corners with six equivalent CTa6 octahedra and edges with six equivalent CoTa6Co6 cuboctahedra. The corner-sharing octahedral tilt angles are 45°.},
doi = {10.17188/1192362},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}