U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tc3Pt by Materials Project
Abstract
Tc3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.65–2.91 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. Both Tc–Tc bond lengths are 2.68 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. Pt5+ is bonded to twelve Tc+1.67- atoms to form PtTc12 cuboctahedra that share corners with sixmore »
- Publication Date:
- Other Number(s):
- mp-867281
- 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-Tc; Tc3Pt; crystal structure
- OSTI Identifier:
- 1311949
- DOI:
- https://doi.org/10.17188/1311949
Citation Formats
Materials Data on Tc3Pt by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1311949.
Materials Data on Tc3Pt by Materials Project. United States. doi:https://doi.org/10.17188/1311949
2020.
"Materials Data on Tc3Pt by Materials Project". United States. doi:https://doi.org/10.17188/1311949. https://www.osti.gov/servlets/purl/1311949. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1311949,
title = {Materials Data on Tc3Pt by Materials Project},
abstractNote = {Tc3Pt is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Tc+1.67- sites. In the first Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.65–2.91 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. In the second Tc+1.67- site, Tc+1.67- is bonded to eight Tc+1.67- and four equivalent Pt5+ atoms to form distorted TcTc8Pt4 cuboctahedra that share corners with four equivalent PtTc12 cuboctahedra, corners with fourteen TcTc8Pt4 cuboctahedra, edges with six equivalent PtTc12 cuboctahedra, edges with twelve TcTc8Pt4 cuboctahedra, faces with four equivalent PtTc12 cuboctahedra, and faces with sixteen TcTc8Pt4 cuboctahedra. Both Tc–Tc bond lengths are 2.68 Å. There are two shorter (2.77 Å) and two longer (2.78 Å) Tc–Pt bond lengths. Pt5+ is bonded to twelve Tc+1.67- atoms to form PtTc12 cuboctahedra that share corners with six equivalent PtTc12 cuboctahedra, corners with twelve TcTc8Pt4 cuboctahedra, edges with eighteen TcTc8Pt4 cuboctahedra, faces with eight equivalent PtTc12 cuboctahedra, and faces with twelve TcTc8Pt4 cuboctahedra.},
doi = {10.17188/1311949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}