U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SiTc3 by Materials Project
Abstract
Tc3Si is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+1.33- is bonded to eight equivalent Tc+1.33- and four equivalent Si4+ atoms to form TcSi4Tc8 cuboctahedra that share corners with four equivalent SiTc12 cuboctahedra, corners with fourteen equivalent TcSi4Tc8 cuboctahedra, edges with six equivalent SiTc12 cuboctahedra, edges with twelve equivalent TcSi4Tc8 cuboctahedra, faces with four equivalent SiTc12 cuboctahedra, and faces with sixteen equivalent TcSi4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.64–2.78 Å. There are two shorter (2.68 Å) and two longer (2.71 Å) Tc–Si bond lengths. Si4+ is bonded to twelve equivalent Tc+1.33- atoms to form SiTc12 cuboctahedra that share corners with six equivalent SiTc12 cuboctahedra, corners with twelve equivalent TcSi4Tc8 cuboctahedra, edges with eighteen equivalent TcSi4Tc8 cuboctahedra, faces with eight equivalent SiTc12 cuboctahedra, and faces with twelve equivalent TcSi4Tc8 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-972784
- 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; Si-Tc; SiTc3; crystal structure
- OSTI Identifier:
- 1313916
- DOI:
- https://doi.org/10.17188/1313916
Citation Formats
Materials Data on SiTc3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313916.
Materials Data on SiTc3 by Materials Project. United States. doi:https://doi.org/10.17188/1313916
2020.
"Materials Data on SiTc3 by Materials Project". United States. doi:https://doi.org/10.17188/1313916. https://www.osti.gov/servlets/purl/1313916. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1313916,
title = {Materials Data on SiTc3 by Materials Project},
abstractNote = {Tc3Si is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Tc+1.33- is bonded to eight equivalent Tc+1.33- and four equivalent Si4+ atoms to form TcSi4Tc8 cuboctahedra that share corners with four equivalent SiTc12 cuboctahedra, corners with fourteen equivalent TcSi4Tc8 cuboctahedra, edges with six equivalent SiTc12 cuboctahedra, edges with twelve equivalent TcSi4Tc8 cuboctahedra, faces with four equivalent SiTc12 cuboctahedra, and faces with sixteen equivalent TcSi4Tc8 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.64–2.78 Å. There are two shorter (2.68 Å) and two longer (2.71 Å) Tc–Si bond lengths. Si4+ is bonded to twelve equivalent Tc+1.33- atoms to form SiTc12 cuboctahedra that share corners with six equivalent SiTc12 cuboctahedra, corners with twelve equivalent TcSi4Tc8 cuboctahedra, edges with eighteen equivalent TcSi4Tc8 cuboctahedra, faces with eight equivalent SiTc12 cuboctahedra, and faces with twelve equivalent TcSi4Tc8 cuboctahedra.},
doi = {10.17188/1313916},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}