U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta7Co6 by Materials Project
Abstract
Co6Ta7 is Frank-Kasper $$\mu$$ Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted hexagonal planar geometry to six equivalent Ta and six equivalent Co atoms. All Ta–Ta bond lengths are 2.88 Å. All Ta–Co bond lengths are 2.50 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are three shorter (2.71 Å) and three longer (2.76 Å) Ta–Co bond lengths. In the third Ta site, Ta is bonded in a 10-coordinate geometry to seven Ta and nine equivalent Co atoms. There are one shorter (2.75 Å) and three longer (2.93 Å) Ta–Ta bond lengths. There are three shorter (2.74 Å) and six longer (3.01 Å) Ta–Co bond lengths. In the fourth Ta site, Ta is bonded in a 8-coordinate geometry to two Ta and six equivalent Co atoms. The Ta–Ta bond length is 2.57 Å. All Ta–Co bond lengths are 2.69 Å. Co is bonded to eight Ta and four equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTa8Co4 cuboctahedra. There are two shorter (2.42 Å) and two longer (2.53 Å) Co–Co bond lengths.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1104548
- 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; Ta7Co6; Co-Ta
- OSTI Identifier:
- 1721935
- DOI:
- https://doi.org/10.17188/1721935
Citation Formats
The Materials Project. Materials Data on Ta7Co6 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1721935.
The Materials Project. Materials Data on Ta7Co6 by Materials Project. United States. doi:https://doi.org/10.17188/1721935
The Materials Project. 2018.
"Materials Data on Ta7Co6 by Materials Project". United States. doi:https://doi.org/10.17188/1721935. https://www.osti.gov/servlets/purl/1721935. Pub date:Thu Jul 19 00:00:00 EDT 2018
@article{osti_1721935,
title = {Materials Data on Ta7Co6 by Materials Project},
author = {The Materials Project},
abstractNote = {Co6Ta7 is Frank-Kasper $\mu$ Phase-like structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are four inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted hexagonal planar geometry to six equivalent Ta and six equivalent Co atoms. All Ta–Ta bond lengths are 2.88 Å. All Ta–Co bond lengths are 2.50 Å. In the second Ta site, Ta is bonded in a 6-coordinate geometry to six equivalent Co atoms. There are three shorter (2.71 Å) and three longer (2.76 Å) Ta–Co bond lengths. In the third Ta site, Ta is bonded in a 10-coordinate geometry to seven Ta and nine equivalent Co atoms. There are one shorter (2.75 Å) and three longer (2.93 Å) Ta–Ta bond lengths. There are three shorter (2.74 Å) and six longer (3.01 Å) Ta–Co bond lengths. In the fourth Ta site, Ta is bonded in a 8-coordinate geometry to two Ta and six equivalent Co atoms. The Ta–Ta bond length is 2.57 Å. All Ta–Co bond lengths are 2.69 Å. Co is bonded to eight Ta and four equivalent Co atoms to form a mixture of distorted corner, edge, and face-sharing CoTa8Co4 cuboctahedra. There are two shorter (2.42 Å) and two longer (2.53 Å) Co–Co bond lengths.},
doi = {10.17188/1721935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}