U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NaTl2GaF6 by Materials Project
Abstract
NaTl2GaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.34 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Tl–F bond lengths are 3.04 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a distorted linear geometry to one Na1+, four equivalent Tl1+, and one Ga3+ atom.
- Publication Date:
- Other Number(s):
- mp-989561
- 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-Ga-Na-Tl; NaTl2GaF6; crystal structure
- OSTI Identifier:
- 1316860
- DOI:
- https://doi.org/10.17188/1316860
Citation Formats
Materials Data on NaTl2GaF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1316860.
Materials Data on NaTl2GaF6 by Materials Project. United States. doi:https://doi.org/10.17188/1316860
2020.
"Materials Data on NaTl2GaF6 by Materials Project". United States. doi:https://doi.org/10.17188/1316860. https://www.osti.gov/servlets/purl/1316860. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316860,
title = {Materials Data on NaTl2GaF6 by Materials Project},
abstractNote = {NaTl2GaF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent F1- atoms to form NaF6 octahedra that share corners with six equivalent GaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–F bond lengths are 2.34 Å. Tl1+ is bonded to twelve equivalent F1- atoms to form TlF12 cuboctahedra that share corners with twelve equivalent TlF12 cuboctahedra, faces with six equivalent TlF12 cuboctahedra, faces with four equivalent NaF6 octahedra, and faces with four equivalent GaF6 octahedra. All Tl–F bond lengths are 3.04 Å. Ga3+ is bonded to six equivalent F1- atoms to form GaF6 octahedra that share corners with six equivalent NaF6 octahedra and faces with eight equivalent TlF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ga–F bond lengths are 1.94 Å. F1- is bonded in a distorted linear geometry to one Na1+, four equivalent Tl1+, and one Ga3+ atom.},
doi = {10.17188/1316860},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}