U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on ThSiPt by Materials Project
Abstract
ThPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Th is bonded to six Pt and six equivalent Si atoms to form a mixture of edge and face-sharing ThSi6Pt6 cuboctahedra. There are two shorter (3.20 Å) and four longer (3.21 Å) Th–Pt bond lengths. There are four shorter (3.18 Å) and two longer (3.26 Å) Th–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pt–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Th and three Pt atoms.
- Publication Date:
- Other Number(s):
- mp-1025098
- 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-Th; ThSiPt; crystal structure
- OSTI Identifier:
- 1355205
- DOI:
- https://doi.org/10.17188/1355205
Citation Formats
Materials Data on ThSiPt by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355205.
Materials Data on ThSiPt by Materials Project. United States. doi:https://doi.org/10.17188/1355205
2020.
"Materials Data on ThSiPt by Materials Project". United States. doi:https://doi.org/10.17188/1355205. https://www.osti.gov/servlets/purl/1355205. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1355205,
title = {Materials Data on ThSiPt by Materials Project},
abstractNote = {ThPtSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Th is bonded to six Pt and six equivalent Si atoms to form a mixture of edge and face-sharing ThSi6Pt6 cuboctahedra. There are two shorter (3.20 Å) and four longer (3.21 Å) Th–Pt bond lengths. There are four shorter (3.18 Å) and two longer (3.26 Å) Th–Si bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pt–Si bond lengths. In the second Pt site, Pt is bonded in a 3-coordinate geometry to six equivalent Th and three equivalent Si atoms. There are two shorter (2.42 Å) and one longer (2.47 Å) Pt–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Th and three Pt atoms.},
doi = {10.17188/1355205},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}