U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AlPt3 by Materials Project
Abstract
Pt3Al crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to eight equivalent Pt and four equivalent Al atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with twelve equivalent PtAl4Pt8 cuboctahedra, edges with eight equivalent AlPt12 cuboctahedra, faces with four equivalent AlPt12 cuboctahedra, and faces with six equivalent PtAl4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Al bond lengths are 2.76 Å. In the second Pt site, Pt is bonded in a 2-coordinate geometry to eight Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.78 Å. There are two shorter (2.62 Å) and two longer (2.95 Å) Pt–Al bond lengths. Al is bonded to twelve Pt atoms to form AlPt12 cuboctahedra that share corners with twelve equivalent AlPt12 cuboctahedra, edges with eight equivalent PtAl4Pt8 cuboctahedra, faces with four equivalent PtAl4Pt8 cuboctahedra, and faces with six equivalent AlPt12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1080448
- 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; Al-Pt; AlPt3; crystal structure
- OSTI Identifier:
- 1705028
- DOI:
- https://doi.org/10.17188/1705028
Citation Formats
Materials Data on AlPt3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1705028.
Materials Data on AlPt3 by Materials Project. United States. doi:https://doi.org/10.17188/1705028
2020.
"Materials Data on AlPt3 by Materials Project". United States. doi:https://doi.org/10.17188/1705028. https://www.osti.gov/servlets/purl/1705028. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1705028,
title = {Materials Data on AlPt3 by Materials Project},
abstractNote = {Pt3Al crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pt sites. In the first Pt site, Pt is bonded to eight equivalent Pt and four equivalent Al atoms to form distorted PtAl4Pt8 cuboctahedra that share corners with twelve equivalent PtAl4Pt8 cuboctahedra, edges with eight equivalent AlPt12 cuboctahedra, faces with four equivalent AlPt12 cuboctahedra, and faces with six equivalent PtAl4Pt8 cuboctahedra. All Pt–Pt bond lengths are 2.79 Å. All Pt–Al bond lengths are 2.76 Å. In the second Pt site, Pt is bonded in a 2-coordinate geometry to eight Pt and four equivalent Al atoms. All Pt–Pt bond lengths are 2.78 Å. There are two shorter (2.62 Å) and two longer (2.95 Å) Pt–Al bond lengths. Al is bonded to twelve Pt atoms to form AlPt12 cuboctahedra that share corners with twelve equivalent AlPt12 cuboctahedra, edges with eight equivalent PtAl4Pt8 cuboctahedra, faces with four equivalent PtAl4Pt8 cuboctahedra, and faces with six equivalent AlPt12 cuboctahedra.},
doi = {10.17188/1705028},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}