U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2TaN3 by Materials Project
Abstract
Hf2TaN3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to six equivalent N atoms to form a mixture of distorted face, edge, and corner-sharing HfN6 pentagonal pyramids. All Hf–N bond lengths are 2.16 Å. Ta is bonded in a hexagonal planar geometry to six equivalent N atoms. All Ta–N bond lengths are 2.67 Å. N is bonded to four equivalent Hf and two equivalent Ta atoms to form a mixture of face, edge, and corner-sharing NHf4Ta2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.
- Publication Date:
- Other Number(s):
- mp-1018710
- 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; Hf-N-Ta; Hf2TaN3; crystal structure
- OSTI Identifier:
- 1350416
- DOI:
- https://doi.org/10.17188/1350416
Citation Formats
Materials Data on Hf2TaN3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1350416.
Materials Data on Hf2TaN3 by Materials Project. United States. doi:https://doi.org/10.17188/1350416
2020.
"Materials Data on Hf2TaN3 by Materials Project". United States. doi:https://doi.org/10.17188/1350416. https://www.osti.gov/servlets/purl/1350416. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1350416,
title = {Materials Data on Hf2TaN3 by Materials Project},
abstractNote = {Hf2TaN3 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Hf is bonded to six equivalent N atoms to form a mixture of distorted face, edge, and corner-sharing HfN6 pentagonal pyramids. All Hf–N bond lengths are 2.16 Å. Ta is bonded in a hexagonal planar geometry to six equivalent N atoms. All Ta–N bond lengths are 2.67 Å. N is bonded to four equivalent Hf and two equivalent Ta atoms to form a mixture of face, edge, and corner-sharing NHf4Ta2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°.},
doi = {10.17188/1350416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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