U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ZrUC2 by Materials Project
Abstract
UZrC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U4+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent ZrC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent ZrC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.43 Å. Zr4+ is bonded to six equivalent C4- atoms to form ZrC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent ZrC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–C bond lengths are 2.42 Å. C4- is bonded to three equivalent U4+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing CZr3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1215195
- 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-U-Zr; ZrUC2; crystal structure
- OSTI Identifier:
- 1719621
- DOI:
- https://doi.org/10.17188/1719621
Citation Formats
Materials Data on ZrUC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1719621.
Materials Data on ZrUC2 by Materials Project. United States. doi:https://doi.org/10.17188/1719621
2020.
"Materials Data on ZrUC2 by Materials Project". United States. doi:https://doi.org/10.17188/1719621. https://www.osti.gov/servlets/purl/1719621. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1719621,
title = {Materials Data on ZrUC2 by Materials Project},
abstractNote = {UZrC2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. U4+ is bonded to six equivalent C4- atoms to form UC6 octahedra that share corners with six equivalent ZrC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent ZrC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All U–C bond lengths are 2.43 Å. Zr4+ is bonded to six equivalent C4- atoms to form ZrC6 octahedra that share corners with six equivalent UC6 octahedra, edges with six equivalent UC6 octahedra, and edges with six equivalent ZrC6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Zr–C bond lengths are 2.42 Å. C4- is bonded to three equivalent U4+ and three equivalent Zr4+ atoms to form a mixture of edge and corner-sharing CZr3U3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1719621},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}