U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfN2 by Materials Project
Abstract
HfN2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent N2- atoms to form HfN6 octahedra that share corners with twelve equivalent HfN6 octahedra and corners with six equivalent NHf3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Hf–N bond lengths are 2.21 Å. N2- is bonded to three equivalent Hf4+ and one N2- atom to form NHf3N tetrahedra that share corners with three equivalent HfN6 octahedra and corners with fifteen equivalent NHf3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. The N–N bond length is 1.51 Å.
- Publication Date:
- Other Number(s):
- mp-1102429
- 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; HfN2; crystal structure
- OSTI Identifier:
- 1710765
- DOI:
- https://doi.org/10.17188/1710765
Citation Formats
Materials Data on HfN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710765.
Materials Data on HfN2 by Materials Project. United States. doi:https://doi.org/10.17188/1710765
2020.
"Materials Data on HfN2 by Materials Project". United States. doi:https://doi.org/10.17188/1710765. https://www.osti.gov/servlets/purl/1710765. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1710765,
title = {Materials Data on HfN2 by Materials Project},
abstractNote = {HfN2 is Pyrite-like structured and crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Hf4+ is bonded to six equivalent N2- atoms to form HfN6 octahedra that share corners with twelve equivalent HfN6 octahedra and corners with six equivalent NHf3N tetrahedra. The corner-sharing octahedral tilt angles are 70°. All Hf–N bond lengths are 2.21 Å. N2- is bonded to three equivalent Hf4+ and one N2- atom to form NHf3N tetrahedra that share corners with three equivalent HfN6 octahedra and corners with fifteen equivalent NHf3N tetrahedra. The corner-sharing octahedral tilt angles are 71°. The N–N bond length is 1.51 Å.},
doi = {10.17188/1710765},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.