U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Tc by Materials Project
Abstract
K3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent Tc3- atoms to form a mixture of distorted edge and corner-sharing KTc4 tetrahedra. All K–Tc bond lengths are 3.96 Å. In the second K1+ site, K1+ is bonded in a square co-planar geometry to four equivalent Tc3- atoms. All K–Tc bond lengths are 4.07 Å. Tc3- is bonded to twelve K1+ atoms to form a mixture of face, edge, and corner-sharing TcK12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1185077
- 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; K-Tc; K3Tc; crystal structure
- OSTI Identifier:
- 1653751
- DOI:
- https://doi.org/10.17188/1653751
Citation Formats
Materials Data on K3Tc by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1653751.
Materials Data on K3Tc by Materials Project. United States. doi:https://doi.org/10.17188/1653751
2020.
"Materials Data on K3Tc by Materials Project". United States. doi:https://doi.org/10.17188/1653751. https://www.osti.gov/servlets/purl/1653751. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1653751,
title = {Materials Data on K3Tc by Materials Project},
abstractNote = {K3Tc is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to four equivalent Tc3- atoms to form a mixture of distorted edge and corner-sharing KTc4 tetrahedra. All K–Tc bond lengths are 3.96 Å. In the second K1+ site, K1+ is bonded in a square co-planar geometry to four equivalent Tc3- atoms. All K–Tc bond lengths are 4.07 Å. Tc3- is bonded to twelve K1+ atoms to form a mixture of face, edge, and corner-sharing TcK12 cuboctahedra.},
doi = {10.17188/1653751},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.