U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tc3Sn by Materials Project
Abstract
Tc3Sn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Tc+1.33- sites. In the first Tc+1.33- site, Tc+1.33- is bonded to twelve Tc+1.33- atoms to form a mixture of edge, corner, and face-sharing TcTc12 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.94 Å) Tc–Tc bond lengths. In the second Tc+1.33- site, Tc+1.33- is bonded to nine Tc+1.33- and three equivalent Sn4+ atoms to form TcTc9Sn3 cuboctahedra that share corners with eighteen equivalent TcTc9Sn3 cuboctahedra, edges with twelve TcTc12 cuboctahedra, and faces with fourteen TcTc12 cuboctahedra. All Tc–Tc bond lengths are 2.94 Å. All Tc–Sn bond lengths are 2.83 Å. Sn4+ is bonded in a 6-coordinate geometry to six equivalent Tc+1.33- atoms.
- Publication Date:
- Other Number(s):
- mp-1217417
- 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; Sn-Tc; Tc3Sn; crystal structure
- OSTI Identifier:
- 1695227
- DOI:
- https://doi.org/10.17188/1695227
Citation Formats
Materials Data on Tc3Sn by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695227.
Materials Data on Tc3Sn by Materials Project. United States. doi:https://doi.org/10.17188/1695227
2019.
"Materials Data on Tc3Sn by Materials Project". United States. doi:https://doi.org/10.17188/1695227. https://www.osti.gov/servlets/purl/1695227. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1695227,
title = {Materials Data on Tc3Sn by Materials Project},
abstractNote = {Tc3Sn crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Tc+1.33- sites. In the first Tc+1.33- site, Tc+1.33- is bonded to twelve Tc+1.33- atoms to form a mixture of edge, corner, and face-sharing TcTc12 cuboctahedra. There are six shorter (2.67 Å) and six longer (2.94 Å) Tc–Tc bond lengths. In the second Tc+1.33- site, Tc+1.33- is bonded to nine Tc+1.33- and three equivalent Sn4+ atoms to form TcTc9Sn3 cuboctahedra that share corners with eighteen equivalent TcTc9Sn3 cuboctahedra, edges with twelve TcTc12 cuboctahedra, and faces with fourteen TcTc12 cuboctahedra. All Tc–Tc bond lengths are 2.94 Å. All Tc–Sn bond lengths are 2.83 Å. Sn4+ is bonded in a 6-coordinate geometry to six equivalent Tc+1.33- atoms.},
doi = {10.17188/1695227},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}