U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on UPt5 by Materials Project
Abstract
UPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to sixteen Pt+1.20- atoms. There are twelve shorter (3.11 Å) and four longer (3.25 Å) U–Pt bond lengths. There are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to four equivalent U6+ and twelve equivalent Pt+1.20- atoms to form distorted PtU4Pt12 tetrahedra that share corners with twelve equivalent PtU3Pt9 cuboctahedra, faces with twenty-eight equivalent PtU3Pt9 cuboctahedra, and faces with twelve equivalent PtU4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.11 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to three equivalent U6+ and nine Pt+1.20- atoms to form distorted PtU3Pt9 cuboctahedra that share corners with eighteen equivalent PtU3Pt9 cuboctahedra, corners with three equivalent PtU4Pt12 tetrahedra, edges with six equivalent PtU3Pt9 cuboctahedra, faces with eighteen equivalent PtU3Pt9 cuboctahedra, and faces with seven equivalent PtU4Pt12 tetrahedra. There are three shorter (2.64 Å) and three longer (2.66 Å) Pt–Pt bond lengths.
- Publication Date:
- Other Number(s):
- mp-1072444
- 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; Pt-U; UPt5; crystal structure
- OSTI Identifier:
- 1738416
- DOI:
- https://doi.org/10.17188/1738416
Citation Formats
Materials Data on UPt5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738416.
Materials Data on UPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1738416
2020.
"Materials Data on UPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1738416. https://www.osti.gov/servlets/purl/1738416. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738416,
title = {Materials Data on UPt5 by Materials Project},
abstractNote = {UPt5 crystallizes in the cubic F-43m space group. The structure is three-dimensional. U6+ is bonded in a 12-coordinate geometry to sixteen Pt+1.20- atoms. There are twelve shorter (3.11 Å) and four longer (3.25 Å) U–Pt bond lengths. There are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to four equivalent U6+ and twelve equivalent Pt+1.20- atoms to form distorted PtU4Pt12 tetrahedra that share corners with twelve equivalent PtU3Pt9 cuboctahedra, faces with twenty-eight equivalent PtU3Pt9 cuboctahedra, and faces with twelve equivalent PtU4Pt12 tetrahedra. All Pt–Pt bond lengths are 3.11 Å. In the second Pt+1.20- site, Pt+1.20- is bonded to three equivalent U6+ and nine Pt+1.20- atoms to form distorted PtU3Pt9 cuboctahedra that share corners with eighteen equivalent PtU3Pt9 cuboctahedra, corners with three equivalent PtU4Pt12 tetrahedra, edges with six equivalent PtU3Pt9 cuboctahedra, faces with eighteen equivalent PtU3Pt9 cuboctahedra, and faces with seven equivalent PtU4Pt12 tetrahedra. There are three shorter (2.64 Å) and three longer (2.66 Å) Pt–Pt bond lengths.},
doi = {10.17188/1738416},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}