U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TlPF6 by Materials Project
Abstract
TlPF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra and edges with six equivalent PF6 octahedra. There are six shorter (3.17 Å) and six longer (3.18 Å) Tl–F bond lengths. P5+ is bonded to six equivalent F1- atoms to form PF6 octahedra that share edges with six equivalent TlF12 cuboctahedra. All P–F bond lengths are 1.64 Å. F1- is bonded in a single-bond geometry to two equivalent Tl1+ and one P5+ atom.
- Publication Date:
- Other Number(s):
- mp-540850
- 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; F-P-Tl; TlPF6; crystal structure
- OSTI Identifier:
- 1264833
- DOI:
- https://doi.org/10.17188/1264833
Citation Formats
Materials Data on TlPF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1264833.
Materials Data on TlPF6 by Materials Project. United States. doi:https://doi.org/10.17188/1264833
2020.
"Materials Data on TlPF6 by Materials Project". United States. doi:https://doi.org/10.17188/1264833. https://www.osti.gov/servlets/purl/1264833. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1264833,
title = {Materials Data on TlPF6 by Materials Project},
abstractNote = {TlPF6 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra and edges with six equivalent PF6 octahedra. There are six shorter (3.17 Å) and six longer (3.18 Å) Tl–F bond lengths. P5+ is bonded to six equivalent F1- atoms to form PF6 octahedra that share edges with six equivalent TlF12 cuboctahedra. All P–F bond lengths are 1.64 Å. F1- is bonded in a single-bond geometry to two equivalent Tl1+ and one P5+ atom.},
doi = {10.17188/1264833},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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