U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2Co3Si by Materials Project
Abstract
Ta2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to four equivalent Ta, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.88 Å) and three longer (2.94 Å) Ta–Ta bond lengths. There are three shorter (2.72 Å) and six longer (2.82 Å) Ta–Co bond lengths. All Ta–Si bond lengths are 2.84 Å. Co is bonded to six equivalent Ta, four equivalent Co, and two equivalent Si atoms to form CoTa6Co4Si2 cuboctahedra that share corners with four equivalent SiTa6Co6 cuboctahedra, corners with fourteen equivalent CoTa6Co4Si2 cuboctahedra, edges with six equivalent CoTa6Co4Si2 cuboctahedra, faces with six equivalent SiTa6Co6 cuboctahedra, and faces with twelve equivalent CoTa6Co4Si2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.47 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.37 Å. Si is bonded to six equivalent Ta and six equivalent Co atoms to form SiTa6Co6 cuboctahedra that share corners with twelve equivalent CoTa6Co4Si2 cuboctahedra, edges with six equivalent SiTa6Co6 cuboctahedra, faces with two equivalent SiTa6Co6 cuboctahedra, and faces with eighteen equivalent CoTa6Co4Si2 cuboctahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1217775
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ta2Co3Si; Co-Si-Ta
- OSTI Identifier:
- 1685750
- DOI:
- https://doi.org/10.17188/1685750
Citation Formats
The Materials Project. Materials Data on Ta2Co3Si by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685750.
The Materials Project. Materials Data on Ta2Co3Si by Materials Project. United States. doi:https://doi.org/10.17188/1685750
The Materials Project. 2020.
"Materials Data on Ta2Co3Si by Materials Project". United States. doi:https://doi.org/10.17188/1685750. https://www.osti.gov/servlets/purl/1685750. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685750,
title = {Materials Data on Ta2Co3Si by Materials Project},
author = {The Materials Project},
abstractNote = {Ta2Co3Si is Hexagonal Laves-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ta is bonded in a 12-coordinate geometry to four equivalent Ta, nine equivalent Co, and three equivalent Si atoms. There are one shorter (2.88 Å) and three longer (2.94 Å) Ta–Ta bond lengths. There are three shorter (2.72 Å) and six longer (2.82 Å) Ta–Co bond lengths. All Ta–Si bond lengths are 2.84 Å. Co is bonded to six equivalent Ta, four equivalent Co, and two equivalent Si atoms to form CoTa6Co4Si2 cuboctahedra that share corners with four equivalent SiTa6Co6 cuboctahedra, corners with fourteen equivalent CoTa6Co4Si2 cuboctahedra, edges with six equivalent CoTa6Co4Si2 cuboctahedra, faces with six equivalent SiTa6Co6 cuboctahedra, and faces with twelve equivalent CoTa6Co4Si2 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.47 Å) Co–Co bond lengths. Both Co–Si bond lengths are 2.37 Å. Si is bonded to six equivalent Ta and six equivalent Co atoms to form SiTa6Co6 cuboctahedra that share corners with twelve equivalent CoTa6Co4Si2 cuboctahedra, edges with six equivalent SiTa6Co6 cuboctahedra, faces with two equivalent SiTa6Co6 cuboctahedra, and faces with eighteen equivalent CoTa6Co4Si2 cuboctahedra.},
doi = {10.17188/1685750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}