U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UCrCuSi2 by Materials Project
Abstract
UCrCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.03 Å. Cr3+ is bonded to four equivalent Si4- atoms to form CrSi4 tetrahedra that share corners with four equivalent CrSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Cr–Si bond lengths are 2.42 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent CrSi4 tetrahedra. All Cu–Si bond lengths are 2.42 Å. Si4- is bonded in a 2-coordinate geometry to four equivalent U4+, two equivalent Cr3+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.38 Å.
- Publication Date:
- Other Number(s):
- mp-1216266
- 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; Cr-Cu-Si-U; UCrCuSi2; crystal structure
- OSTI Identifier:
- 1723791
- DOI:
- https://doi.org/10.17188/1723791
Citation Formats
Materials Data on UCrCuSi2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1723791.
Materials Data on UCrCuSi2 by Materials Project. United States. doi:https://doi.org/10.17188/1723791
2020.
"Materials Data on UCrCuSi2 by Materials Project". United States. doi:https://doi.org/10.17188/1723791. https://www.osti.gov/servlets/purl/1723791. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1723791,
title = {Materials Data on UCrCuSi2 by Materials Project},
abstractNote = {UCrCuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U4+ is bonded in a distorted body-centered cubic geometry to eight equivalent Si4- atoms. All U–Si bond lengths are 3.03 Å. Cr3+ is bonded to four equivalent Si4- atoms to form CrSi4 tetrahedra that share corners with four equivalent CrSi4 tetrahedra and edges with four equivalent CuSi4 tetrahedra. All Cr–Si bond lengths are 2.42 Å. Cu1+ is bonded to four equivalent Si4- atoms to form CuSi4 tetrahedra that share corners with four equivalent CuSi4 tetrahedra and edges with four equivalent CrSi4 tetrahedra. All Cu–Si bond lengths are 2.42 Å. Si4- is bonded in a 2-coordinate geometry to four equivalent U4+, two equivalent Cr3+, two equivalent Cu1+, and one Si4- atom. The Si–Si bond length is 2.38 Å.},
doi = {10.17188/1723791},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}