U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrUCN by Materials Project
Abstract
UZrCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. U3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form UC3N3 octahedra that share corners with six equivalent ZrC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All U–C bond lengths are 2.41 Å. All U–N bond lengths are 2.42 Å. Zr4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ZrC3N3 octahedra that share corners with six equivalent UC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Zr–C bond lengths are 2.38 Å. All Zr–N bond lengths are 2.36 Å. C4- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form CZr3U3 octahedra that share corners with six equivalent NZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. N3- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form NZr3U3 octahedra that share corners withmore »
- Publication Date:
- Other Number(s):
- mp-1215199
- 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; C-N-U-Zr; ZrUCN; crystal structure
- OSTI Identifier:
- 1727076
- DOI:
- https://doi.org/10.17188/1727076
Citation Formats
Materials Data on ZrUCN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1727076.
Materials Data on ZrUCN by Materials Project. United States. doi:https://doi.org/10.17188/1727076
2020.
"Materials Data on ZrUCN by Materials Project". United States. doi:https://doi.org/10.17188/1727076. https://www.osti.gov/servlets/purl/1727076. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1727076,
title = {Materials Data on ZrUCN by Materials Project},
abstractNote = {UZrCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. U3+ is bonded to three equivalent C4- and three equivalent N3- atoms to form UC3N3 octahedra that share corners with six equivalent ZrC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All U–C bond lengths are 2.41 Å. All U–N bond lengths are 2.42 Å. Zr4+ is bonded to three equivalent C4- and three equivalent N3- atoms to form ZrC3N3 octahedra that share corners with six equivalent UC3N3 octahedra, edges with six equivalent UC3N3 octahedra, and edges with six equivalent ZrC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–2°. All Zr–C bond lengths are 2.38 Å. All Zr–N bond lengths are 2.36 Å. C4- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form CZr3U3 octahedra that share corners with six equivalent NZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. N3- is bonded to three equivalent U3+ and three equivalent Zr4+ atoms to form NZr3U3 octahedra that share corners with six equivalent CZr3U3 octahedra, edges with six equivalent CZr3U3 octahedra, and edges with six equivalent NZr3U3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.},
doi = {10.17188/1727076},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}