U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Zr3N4 by Materials Project
Abstract
Zr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (2.25 Å) and four longer (2.47 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr4+ atoms to form a mixture of distorted corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°.
- Publication Date:
- Other Number(s):
- mp-11661
- 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-Zr; Zr3N4; crystal structure
- OSTI Identifier:
- 1188134
- DOI:
- https://doi.org/10.17188/1188134
Citation Formats
Materials Data on Zr3N4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1188134.
Materials Data on Zr3N4 by Materials Project. United States. doi:https://doi.org/10.17188/1188134
2020.
"Materials Data on Zr3N4 by Materials Project". United States. doi:https://doi.org/10.17188/1188134. https://www.osti.gov/servlets/purl/1188134. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1188134,
title = {Materials Data on Zr3N4 by Materials Project},
abstractNote = {Zr3N4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Zr4+ is bonded in a 8-coordinate geometry to eight equivalent N3- atoms. There are four shorter (2.25 Å) and four longer (2.47 Å) Zr–N bond lengths. N3- is bonded to six equivalent Zr4+ atoms to form a mixture of distorted corner, edge, and face-sharing NZr6 octahedra. The corner-sharing octahedra tilt angles range from 20–48°.},
doi = {10.17188/1188134},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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