U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta3Co2Mo by Materials Project
Abstract
Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to three equivalent Mo and four equivalent Co atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.61 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Mo and four equivalent Co atoms. There are two shorter (3.13 Å) and two longer (3.23 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.58 Å. Mo is bonded in a 1-coordinate geometry to eleven Ta and four equivalent Co atoms. All Mo–Co bond lengths are 2.61 Å. Co is bonded in a 10-coordinate geometry to six Ta, two equivalent Mo, and two equivalent Co atoms. Both Co–Co bond lengths are 2.47 Å.
- Publication Date:
- Other Number(s):
- mp-1217987
- 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-Mo-Ta; Ta3Co2Mo; crystal structure
- OSTI Identifier:
- 1665559
- DOI:
- https://doi.org/10.17188/1665559
Citation Formats
Materials Data on Ta3Co2Mo by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1665559.
Materials Data on Ta3Co2Mo by Materials Project. United States. doi:https://doi.org/10.17188/1665559
2020.
"Materials Data on Ta3Co2Mo by Materials Project". United States. doi:https://doi.org/10.17188/1665559. https://www.osti.gov/servlets/purl/1665559. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1665559,
title = {Materials Data on Ta3Co2Mo by Materials Project},
abstractNote = {Ta3MoCo2 is Khatyrkite-derived structured and crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 7-coordinate geometry to three equivalent Mo and four equivalent Co atoms. There are one shorter (2.70 Å) and two longer (2.92 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.61 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent Mo and four equivalent Co atoms. There are two shorter (3.13 Å) and two longer (3.23 Å) Ta–Mo bond lengths. All Ta–Co bond lengths are 2.58 Å. Mo is bonded in a 1-coordinate geometry to eleven Ta and four equivalent Co atoms. All Mo–Co bond lengths are 2.61 Å. Co is bonded in a 10-coordinate geometry to six Ta, two equivalent Mo, and two equivalent Co atoms. Both Co–Co bond lengths are 2.47 Å.},
doi = {10.17188/1665559},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}