U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UReC2 by Materials Project
Abstract
UReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven C4- atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent UC7 pentagonal bipyramids, corners with three equivalent ReC5 trigonal bipyramids, edges with four equivalent UC7 pentagonal bipyramids, edges with seven equivalent ReC5 trigonal bipyramids, and faces with two equivalent UC7 pentagonal bipyramids. There are a spread of U–C bond distances ranging from 2.38–2.49 Å. Re4+ is bonded to five C4- atoms to form ReC5 trigonal bipyramids that share corners with three equivalent UC7 pentagonal bipyramids, corners with four equivalent ReC5 trigonal bipyramids, edges with seven equivalent UC7 pentagonal bipyramids, and edges with two equivalent ReC5 trigonal bipyramids. There are a spread of Re–C bond distances ranging from 2.11–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU4Re2 octahedra. The corner-sharing octahedra tilt angles range from 13–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU3Re3 octahedra.more »
- Publication Date:
- Other Number(s):
- mp-1105571
- 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-Re-U; UReC2; crystal structure
- OSTI Identifier:
- 1722072
- DOI:
- https://doi.org/10.17188/1722072
Citation Formats
Materials Data on UReC2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722072.
Materials Data on UReC2 by Materials Project. United States. doi:https://doi.org/10.17188/1722072
2020.
"Materials Data on UReC2 by Materials Project". United States. doi:https://doi.org/10.17188/1722072. https://www.osti.gov/servlets/purl/1722072. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1722072,
title = {Materials Data on UReC2 by Materials Project},
abstractNote = {UReC2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U4+ is bonded to seven C4- atoms to form distorted UC7 pentagonal bipyramids that share corners with four equivalent UC7 pentagonal bipyramids, corners with three equivalent ReC5 trigonal bipyramids, edges with four equivalent UC7 pentagonal bipyramids, edges with seven equivalent ReC5 trigonal bipyramids, and faces with two equivalent UC7 pentagonal bipyramids. There are a spread of U–C bond distances ranging from 2.38–2.49 Å. Re4+ is bonded to five C4- atoms to form ReC5 trigonal bipyramids that share corners with three equivalent UC7 pentagonal bipyramids, corners with four equivalent ReC5 trigonal bipyramids, edges with seven equivalent UC7 pentagonal bipyramids, and edges with two equivalent ReC5 trigonal bipyramids. There are a spread of Re–C bond distances ranging from 2.11–2.19 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to four equivalent U4+ and two equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU4Re2 octahedra. The corner-sharing octahedra tilt angles range from 13–59°. In the second C4- site, C4- is bonded to three equivalent U4+ and three equivalent Re4+ atoms to form a mixture of corner, edge, and face-sharing CU3Re3 octahedra. The corner-sharing octahedra tilt angles range from 13–59°.},
doi = {10.17188/1722072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}