U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on PtAu by Materials Project
Abstract
PtAu crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Au2+ atoms to form a mixture of face, edge, and corner-sharing PtPt6Au6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. All Pt–Au bond lengths are 2.88 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Au2+ atoms to form PtPt10Au6 cuboctahedra that share corners with twelve PtPt6Au6 cuboctahedra, edges with sixteen PtPt6Au6 cuboctahedra, and faces with sixteen equivalent PtPt10Au6 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.87–5.74 Å. All Pt–Au bond lengths are 2.88 Å. There are three inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. In the second Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. All Au–Pt bond lengths are 2.88 Å. In the third Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six Pt2- atoms.
- Publication Date:
- Other Number(s):
- mp-1219709
- 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; Au-Pt; PtAu; crystal structure
- OSTI Identifier:
- 1758543
- DOI:
- https://doi.org/10.17188/1758543
Citation Formats
Materials Data on PtAu by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1758543.
Materials Data on PtAu by Materials Project. United States. doi:https://doi.org/10.17188/1758543
2020.
"Materials Data on PtAu by Materials Project". United States. doi:https://doi.org/10.17188/1758543. https://www.osti.gov/servlets/purl/1758543. Pub date:Thu Sep 03 04:00:00 UTC 2020
@article{osti_1758543,
title = {Materials Data on PtAu by Materials Project},
abstractNote = {PtAu crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to six equivalent Pt2- and six Au2+ atoms to form a mixture of face, edge, and corner-sharing PtPt6Au6 cuboctahedra. All Pt–Pt bond lengths are 2.87 Å. All Pt–Au bond lengths are 2.88 Å. In the second Pt2- site, Pt2- is bonded to ten equivalent Pt2- and six Au2+ atoms to form PtPt10Au6 cuboctahedra that share corners with twelve PtPt6Au6 cuboctahedra, edges with sixteen PtPt6Au6 cuboctahedra, and faces with sixteen equivalent PtPt10Au6 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.87–5.74 Å. All Pt–Au bond lengths are 2.88 Å. There are three inequivalent Au2+ sites. In the first Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six equivalent Pt2- atoms. In the second Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six Pt2- atoms. All Au–Pt bond lengths are 2.88 Å. In the third Au2+ site, Au2+ is bonded in a 6-coordinate geometry to six Pt2- atoms.},
doi = {10.17188/1758543},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}