U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta2TiN3 by Materials Project
Abstract
TiTa2N3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti3+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ti–N bond lengths are 2.63 Å. Ta3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded to two equivalent Ti3+ and four equivalent Ta3+ atoms to form a mixture of distorted corner, edge, and face-sharing NTa4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1019270
- 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; N-Ta-Ti; Ta2TiN3; crystal structure
- OSTI Identifier:
- 1350661
- DOI:
- https://doi.org/10.17188/1350661
Citation Formats
Materials Data on Ta2TiN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350661.
Materials Data on Ta2TiN3 by Materials Project. United States. doi:https://doi.org/10.17188/1350661
2020.
"Materials Data on Ta2TiN3 by Materials Project". United States. doi:https://doi.org/10.17188/1350661. https://www.osti.gov/servlets/purl/1350661. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1350661,
title = {Materials Data on Ta2TiN3 by Materials Project},
abstractNote = {TiTa2N3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ti3+ is bonded in a hexagonal planar geometry to six equivalent N3- atoms. All Ti–N bond lengths are 2.63 Å. Ta3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.11 Å. N3- is bonded to two equivalent Ti3+ and four equivalent Ta3+ atoms to form a mixture of distorted corner, edge, and face-sharing NTa4Ti2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1350661},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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