U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ce3Cu by Materials Project
Abstract
Ce3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Cu atoms to form distorted CeCe8Cu4 cuboctahedra that share corners with twelve equivalent CeCe8Cu4 cuboctahedra, edges with eight equivalent CeCe8Cu4 cuboctahedra, edges with eight equivalent CuCe12 cuboctahedra, faces with four equivalent CuCe12 cuboctahedra, and faces with ten equivalent CeCe8Cu4 cuboctahedra. There are four shorter (3.15 Å) and four longer (3.24 Å) Ce–Ce bond lengths. All Ce–Cu bond lengths are 3.24 Å. In the second Ce site, Ce is bonded in a distorted square co-planar geometry to eight equivalent Ce and four equivalent Cu atoms. All Ce–Cu bond lengths are 3.15 Å. Cu is bonded to twelve Ce atoms to form CuCe12 cuboctahedra that share corners with four equivalent CuCe12 cuboctahedra, edges with eight equivalent CuCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cu4 cuboctahedra, faces with four equivalent CuCe12 cuboctahedra, and faces with eight equivalent CeCe8Cu4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1183872
- 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; Ce-Cu; Ce3Cu; crystal structure
- OSTI Identifier:
- 1698796
- DOI:
- https://doi.org/10.17188/1698796
Citation Formats
Materials Data on Ce3Cu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698796.
Materials Data on Ce3Cu by Materials Project. United States. doi:https://doi.org/10.17188/1698796
2020.
"Materials Data on Ce3Cu by Materials Project". United States. doi:https://doi.org/10.17188/1698796. https://www.osti.gov/servlets/purl/1698796. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1698796,
title = {Materials Data on Ce3Cu by Materials Project},
abstractNote = {Ce3Cu is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded to eight Ce and four equivalent Cu atoms to form distorted CeCe8Cu4 cuboctahedra that share corners with twelve equivalent CeCe8Cu4 cuboctahedra, edges with eight equivalent CeCe8Cu4 cuboctahedra, edges with eight equivalent CuCe12 cuboctahedra, faces with four equivalent CuCe12 cuboctahedra, and faces with ten equivalent CeCe8Cu4 cuboctahedra. There are four shorter (3.15 Å) and four longer (3.24 Å) Ce–Ce bond lengths. All Ce–Cu bond lengths are 3.24 Å. In the second Ce site, Ce is bonded in a distorted square co-planar geometry to eight equivalent Ce and four equivalent Cu atoms. All Ce–Cu bond lengths are 3.15 Å. Cu is bonded to twelve Ce atoms to form CuCe12 cuboctahedra that share corners with four equivalent CuCe12 cuboctahedra, edges with eight equivalent CuCe12 cuboctahedra, edges with sixteen equivalent CeCe8Cu4 cuboctahedra, faces with four equivalent CuCe12 cuboctahedra, and faces with eight equivalent CeCe8Cu4 cuboctahedra.},
doi = {10.17188/1698796},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}