U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UCu3Pd2 by Materials Project
Abstract
UPd2Cu3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) U–Pd bond lengths. There are a spread of U–Cu bond distances ranging from 3.01–3.22 Å. Pd is bonded to three equivalent U, two equivalent Pd, and seven Cu atoms to form a mixture of distorted face, edge, and corner-sharing PdU3Cu7Pd2 cuboctahedra. There are one shorter (2.68 Å) and one longer (2.70 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.55–3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent U, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–3.11 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent U, six equivalent Pd, and six equivalent Cu atoms.
- Publication Date:
- Other Number(s):
- mp-1216729
- 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; Cu-Pd-U; UCu3Pd2; crystal structure
- OSTI Identifier:
- 1747198
- DOI:
- https://doi.org/10.17188/1747198
Citation Formats
Materials Data on UCu3Pd2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1747198.
Materials Data on UCu3Pd2 by Materials Project. United States. doi:https://doi.org/10.17188/1747198
2020.
"Materials Data on UCu3Pd2 by Materials Project". United States. doi:https://doi.org/10.17188/1747198. https://www.osti.gov/servlets/purl/1747198. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1747198,
title = {Materials Data on UCu3Pd2 by Materials Project},
abstractNote = {UPd2Cu3 crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. U is bonded in a 6-coordinate geometry to six equivalent Pd and ten Cu atoms. There are four shorter (2.96 Å) and two longer (2.99 Å) U–Pd bond lengths. There are a spread of U–Cu bond distances ranging from 3.01–3.22 Å. Pd is bonded to three equivalent U, two equivalent Pd, and seven Cu atoms to form a mixture of distorted face, edge, and corner-sharing PdU3Cu7Pd2 cuboctahedra. There are one shorter (2.68 Å) and one longer (2.70 Å) Pd–Pd bond lengths. There are a spread of Pd–Cu bond distances ranging from 2.55–3.06 Å. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent U, four equivalent Pd, and five Cu atoms. There are a spread of Cu–Cu bond distances ranging from 2.46–3.11 Å. In the second Cu site, Cu is bonded in a 12-coordinate geometry to four equivalent U, six equivalent Pd, and six equivalent Cu atoms.},
doi = {10.17188/1747198},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}