U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on HfTc2 by Materials Project
Abstract
HfTc2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf4+ is bonded in a 12-coordinate geometry to twelve Tc2- atoms. There are a spread of Hf–Tc bond distances ranging from 3.05–3.09 Å. There are three inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to six equivalent Hf4+ and six Tc2- atoms to form a mixture of edge, face, and corner-sharing TcHf6Tc6 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.51–2.68 Å. In the second Tc2- site, Tc2- is bonded to six equivalent Hf4+ and six Tc2- atoms to form a mixture of edge, face, and corner-sharing TcHf6Tc6 cuboctahedra. Both Tc–Tc bond lengths are 2.68 Å. In the third Tc2- site, Tc2- is bonded to six equivalent Hf4+ and six Tc2- atoms to form a mixture of edge, face, and corner-sharing TcHf6Tc6 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1095669
- 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; Hf-Tc; HfTc2; crystal structure
- OSTI Identifier:
- 1729115
- DOI:
- https://doi.org/10.17188/1729115
Citation Formats
Materials Data on HfTc2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1729115.
Materials Data on HfTc2 by Materials Project. United States. doi:https://doi.org/10.17188/1729115
2020.
"Materials Data on HfTc2 by Materials Project". United States. doi:https://doi.org/10.17188/1729115. https://www.osti.gov/servlets/purl/1729115. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729115,
title = {Materials Data on HfTc2 by Materials Project},
abstractNote = {HfTc2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Hf4+ is bonded in a 12-coordinate geometry to twelve Tc2- atoms. There are a spread of Hf–Tc bond distances ranging from 3.05–3.09 Å. There are three inequivalent Tc2- sites. In the first Tc2- site, Tc2- is bonded to six equivalent Hf4+ and six Tc2- atoms to form a mixture of edge, face, and corner-sharing TcHf6Tc6 cuboctahedra. There are a spread of Tc–Tc bond distances ranging from 2.51–2.68 Å. In the second Tc2- site, Tc2- is bonded to six equivalent Hf4+ and six Tc2- atoms to form a mixture of edge, face, and corner-sharing TcHf6Tc6 cuboctahedra. Both Tc–Tc bond lengths are 2.68 Å. In the third Tc2- site, Tc2- is bonded to six equivalent Hf4+ and six Tc2- atoms to form a mixture of edge, face, and corner-sharing TcHf6Tc6 cuboctahedra.},
doi = {10.17188/1729115},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}