U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KTlBr3 by Materials Project
Abstract
KTlBr3 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one TlBr3 framework. In the TlBr3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.07 Å. In the second Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br is bonded in a linear geometry to two Tl atoms.
- Publication Date:
- Other Number(s):
- mp-1111155
- 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; Br-K-Tl; KTlBr3; crystal structure
- OSTI Identifier:
- 1687400
- DOI:
- https://doi.org/10.17188/1687400
Citation Formats
Materials Data on KTlBr3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1687400.
Materials Data on KTlBr3 by Materials Project. United States. doi:https://doi.org/10.17188/1687400
2020.
"Materials Data on KTlBr3 by Materials Project". United States. doi:https://doi.org/10.17188/1687400. https://www.osti.gov/servlets/purl/1687400. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1687400,
title = {Materials Data on KTlBr3 by Materials Project},
abstractNote = {KTlBr3 is High-temperature superconductor-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of eight kalium molecules and one TlBr3 framework. In the TlBr3 framework, there are two inequivalent Tl sites. In the first Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 3.07 Å. In the second Tl site, Tl is bonded to six equivalent Br atoms to form corner-sharing TlBr6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Br bond lengths are 2.80 Å. Br is bonded in a linear geometry to two Tl atoms.},
doi = {10.17188/1687400},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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