U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf3N4 by Materials Project
Abstract
Hf3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with six equivalent HfN4 tetrahedra and edges with six equivalent HfN6 octahedra. All Hf–N bond lengths are 2.20 Å. In the second Hf4+ site, Hf4+ is bonded to four equivalent N3- atoms to form corner-sharing HfN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Hf–N bond lengths are 2.09 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four Hf4+ atoms.
- Publication Date:
- Other Number(s):
- mp-755988
- 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; Hf3N4; crystal structure
- OSTI Identifier:
- 1290285
- DOI:
- https://doi.org/10.17188/1290285
Citation Formats
Materials Data on Hf3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290285.
Materials Data on Hf3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1290285
2020.
"Materials Data on Hf3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1290285. https://www.osti.gov/servlets/purl/1290285. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1290285,
title = {Materials Data on Hf3N4 by Materials Project},
abstractNote = {Hf3N4 is Hausmannite structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Hf4+ sites. In the first Hf4+ site, Hf4+ is bonded to six equivalent N3- atoms to form HfN6 octahedra that share corners with six equivalent HfN4 tetrahedra and edges with six equivalent HfN6 octahedra. All Hf–N bond lengths are 2.20 Å. In the second Hf4+ site, Hf4+ is bonded to four equivalent N3- atoms to form corner-sharing HfN4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. All Hf–N bond lengths are 2.09 Å. N3- is bonded in a distorted rectangular see-saw-like geometry to four Hf4+ atoms.},
doi = {10.17188/1290285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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