U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiAgPt5 by Materials Project
Abstract
Pt5AgSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Ag2+ atoms to form distorted PtAg4Pt8 cuboctahedra that share corners with four equivalent PtAg4Pt8 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. All Pt–Pt bond lengths are 2.89 Å. All Pt–Ag bond lengths are 2.82 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to two equivalent Pt+1.20-, two equivalent Ag2+, and two equivalent Si4+ atoms. Both Pt–Ag bond lengths are 2.89 Å. Both Pt–Si bond lengths are 2.46 Å. Ag2+ is bonded to twelve Pt+1.20- atoms to form AgPt12 cuboctahedra that share corners with four equivalent AgPt12 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.
- Publication Date:
- Other Number(s):
- mp-1025220
- 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; Ag-Pt-Si; crystal structure; SiAgPt5
- OSTI Identifier:
- 1355231
- DOI:
- https://doi.org/10.17188/1355231
Citation Formats
Materials Data on SiAgPt5 by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1355231.
Materials Data on SiAgPt5 by Materials Project. United States. doi:https://doi.org/10.17188/1355231
2017.
"Materials Data on SiAgPt5 by Materials Project". United States. doi:https://doi.org/10.17188/1355231. https://www.osti.gov/servlets/purl/1355231. Pub date:Mon May 08 20:00:00 EDT 2017
@article{osti_1355231,
title = {Materials Data on SiAgPt5 by Materials Project},
abstractNote = {Pt5AgSi crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded to eight equivalent Pt+1.20- and four equivalent Ag2+ atoms to form distorted PtAg4Pt8 cuboctahedra that share corners with four equivalent PtAg4Pt8 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. All Pt–Pt bond lengths are 2.89 Å. All Pt–Ag bond lengths are 2.82 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to two equivalent Pt+1.20-, two equivalent Ag2+, and two equivalent Si4+ atoms. Both Pt–Ag bond lengths are 2.89 Å. Both Pt–Si bond lengths are 2.46 Å. Ag2+ is bonded to twelve Pt+1.20- atoms to form AgPt12 cuboctahedra that share corners with four equivalent AgPt12 cuboctahedra, faces with four equivalent PtAg4Pt8 cuboctahedra, and faces with four equivalent AgPt12 cuboctahedra. Si4+ is bonded in a body-centered cubic geometry to eight equivalent Pt+1.20- atoms.},
doi = {10.17188/1355231},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {5}
}