U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Tl3H by Materials Project
Abstract
(Tl)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four dihydrogen molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Tl atoms to form a mixture of distorted edge and corner-sharing TlTl4 tetrahedra. All Tl–Tl bond lengths are 3.24 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms.
- Publication Date:
- Other Number(s):
- mp-971826
- 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; H-Tl; Tl3H; crystal structure
- OSTI Identifier:
- 1313640
- DOI:
- https://doi.org/10.17188/1313640
Citation Formats
Materials Data on Tl3H by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313640.
Materials Data on Tl3H by Materials Project. United States. doi:https://doi.org/10.17188/1313640
2020.
"Materials Data on Tl3H by Materials Project". United States. doi:https://doi.org/10.17188/1313640. https://www.osti.gov/servlets/purl/1313640. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1313640,
title = {Materials Data on Tl3H by Materials Project},
abstractNote = {(Tl)6H2 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four dihydrogen molecules and one Tl framework. In the Tl framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to four equivalent Tl atoms to form a mixture of distorted edge and corner-sharing TlTl4 tetrahedra. All Tl–Tl bond lengths are 3.24 Å. In the second Tl site, Tl is bonded in a body-centered cubic geometry to eight equivalent Tl atoms.},
doi = {10.17188/1313640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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