U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta4Ni2N by Materials Project
Abstract
Ta4Ni2N 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 hexagonal planar geometry to six equivalent Ni atoms. All Ta–Ni bond lengths are 2.50 Å. In the second Ta site, Ta is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent N atoms. There are two shorter (2.78 Å) and two longer (3.04 Å) Ta–Ni bond lengths. Both Ta–N bond lengths are 2.17 Å. Ni is bonded in a 12-coordinate geometry to nine Ta and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.66 Å. N is bonded to six equivalent Ta atoms to form corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 37°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1192944
- 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; Ta4Ni2N; N-Ni-Ta
- OSTI Identifier:
- 1666907
- DOI:
- https://doi.org/10.17188/1666907
Citation Formats
The Materials Project. Materials Data on Ta4Ni2N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1666907.
The Materials Project. Materials Data on Ta4Ni2N by Materials Project. United States. doi:https://doi.org/10.17188/1666907
The Materials Project. 2020.
"Materials Data on Ta4Ni2N by Materials Project". United States. doi:https://doi.org/10.17188/1666907. https://www.osti.gov/servlets/purl/1666907. Pub date:Fri Jul 24 00:00:00 EDT 2020
@article{osti_1666907,
title = {Materials Data on Ta4Ni2N by Materials Project},
author = {The Materials Project},
abstractNote = {Ta4Ni2N 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 hexagonal planar geometry to six equivalent Ni atoms. All Ta–Ni bond lengths are 2.50 Å. In the second Ta site, Ta is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent N atoms. There are two shorter (2.78 Å) and two longer (3.04 Å) Ta–Ni bond lengths. Both Ta–N bond lengths are 2.17 Å. Ni is bonded in a 12-coordinate geometry to nine Ta and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.66 Å. N is bonded to six equivalent Ta atoms to form corner-sharing NTa6 octahedra. The corner-sharing octahedral tilt angles are 37°.},
doi = {10.17188/1666907},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}