U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs2TlAsF6 by Materials Project
Abstract
Cs2TlAsF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent TlF6 octahedra, and faces with four equivalent AsF6 octahedra. All Cs–F bond lengths are 3.40 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.71 Å. As3+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–F bond lengths are 2.08 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Tl1+, and one As3+ atom.
- Publication Date:
- Other Number(s):
- mp-1112503
- 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; As-Cs-F-Tl; Cs2TlAsF6; crystal structure
- OSTI Identifier:
- 1685823
- DOI:
- https://doi.org/10.17188/1685823
Citation Formats
Materials Data on Cs2TlAsF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685823.
Materials Data on Cs2TlAsF6 by Materials Project. United States. doi:https://doi.org/10.17188/1685823
2020.
"Materials Data on Cs2TlAsF6 by Materials Project". United States. doi:https://doi.org/10.17188/1685823. https://www.osti.gov/servlets/purl/1685823. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685823,
title = {Materials Data on Cs2TlAsF6 by Materials Project},
abstractNote = {Cs2TlAsF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent F1- atoms to form CsF12 cuboctahedra that share corners with twelve equivalent CsF12 cuboctahedra, faces with six equivalent CsF12 cuboctahedra, faces with four equivalent TlF6 octahedra, and faces with four equivalent AsF6 octahedra. All Cs–F bond lengths are 3.40 Å. Tl1+ is bonded to six equivalent F1- atoms to form TlF6 octahedra that share corners with six equivalent AsF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–F bond lengths are 2.71 Å. As3+ is bonded to six equivalent F1- atoms to form AsF6 octahedra that share corners with six equivalent TlF6 octahedra and faces with eight equivalent CsF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–F bond lengths are 2.08 Å. F1- is bonded in a 2-coordinate geometry to four equivalent Cs1+, one Tl1+, and one As3+ atom.},
doi = {10.17188/1685823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}