U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Si5Pt12 by Materials Project
Abstract
Pt12Si5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are six inequivalent Pt+1.67- sites. In the first Pt+1.67- site, Pt+1.67- is bonded in a 4-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.70 Å. In the second Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to three Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.73 Å. In the third Pt+1.67- site, Pt+1.67- is bonded to four Si4+ atoms to form distorted corner-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.62 Å. In the fourth Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–3.10 Å. In the fifth Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.41–2.98 Å. In the sixth Pt+1.67- site, Pt+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. There are four inequivalent Si4+ sites. In the first Si4+more »
- Publication Date:
- Other Number(s):
- mp-567618
- 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-Si; Si5Pt12; crystal structure
- OSTI Identifier:
- 1273960
- DOI:
- https://doi.org/10.17188/1273960
Citation Formats
Materials Data on Si5Pt12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273960.
Materials Data on Si5Pt12 by Materials Project. United States. doi:https://doi.org/10.17188/1273960
2020.
"Materials Data on Si5Pt12 by Materials Project". United States. doi:https://doi.org/10.17188/1273960. https://www.osti.gov/servlets/purl/1273960. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1273960,
title = {Materials Data on Si5Pt12 by Materials Project},
abstractNote = {Pt12Si5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. there are six inequivalent Pt+1.67- sites. In the first Pt+1.67- site, Pt+1.67- is bonded in a 4-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.70 Å. In the second Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to three Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.73 Å. In the third Pt+1.67- site, Pt+1.67- is bonded to four Si4+ atoms to form distorted corner-sharing PtSi4 tetrahedra. There are a spread of Pt–Si bond distances ranging from 2.47–2.62 Å. In the fourth Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.45–3.10 Å. In the fifth Pt+1.67- site, Pt+1.67- is bonded in a 3-coordinate geometry to four Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.41–2.98 Å. In the sixth Pt+1.67- site, Pt+1.67- is bonded in a distorted trigonal non-coplanar geometry to three Si4+ atoms. There are a spread of Pt–Si bond distances ranging from 2.42–2.56 Å. There are four inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded in a 10-coordinate geometry to ten Pt+1.67- atoms. In the second Si4+ site, Si4+ is bonded in a 8-coordinate geometry to eight Pt+1.67- atoms. In the third Si4+ site, Si4+ is bonded in a body-centered cubic geometry to eight Pt+1.67- atoms. In the fourth Si4+ site, Si4+ is bonded in a body-centered cubic geometry to eight Pt+1.67- atoms.},
doi = {10.17188/1273960},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}