U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta5Ni by Materials Project
Abstract
Ta5Ni crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted trigonal non-coplanar geometry to six equivalent Ta and three equivalent Ni atoms. There are three shorter (2.77 Å) and three longer (3.06 Å) Ta–Ta bond lengths. All Ta–Ni bond lengths are 2.60 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to twelve Ta and two equivalent Ni atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Ta–Ta bond lengths. Both Ta–Ni bond lengths are 3.07 Å. Ni is bonded to twelve Ta atoms to form distorted face-sharing NiTa12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1191664
- 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; Ni-Ta; Ta5Ni; crystal structure
- OSTI Identifier:
- 1727254
- DOI:
- https://doi.org/10.17188/1727254
Citation Formats
Materials Data on Ta5Ni by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727254.
Materials Data on Ta5Ni by Materials Project. United States. doi:https://doi.org/10.17188/1727254
2020.
"Materials Data on Ta5Ni by Materials Project". United States. doi:https://doi.org/10.17188/1727254. https://www.osti.gov/servlets/purl/1727254. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1727254,
title = {Materials Data on Ta5Ni by Materials Project},
abstractNote = {Ta5Ni crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a distorted trigonal non-coplanar geometry to six equivalent Ta and three equivalent Ni atoms. There are three shorter (2.77 Å) and three longer (3.06 Å) Ta–Ta bond lengths. All Ta–Ni bond lengths are 2.60 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to twelve Ta and two equivalent Ni atoms. There are four shorter (3.14 Å) and four longer (3.16 Å) Ta–Ta bond lengths. Both Ta–Ni bond lengths are 3.07 Å. Ni is bonded to twelve Ta atoms to form distorted face-sharing NiTa12 cuboctahedra.},
doi = {10.17188/1727254},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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