U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaGeF6 by Materials Project
Abstract
BaGeF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent GeF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent GeF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are six shorter (2.85 Å) and six longer (2.92 Å) Ba–F bond lengths. Ge4+ is bonded to six equivalent F1- atoms to form GeF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Ge–F bond lengths are 1.83 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-14006
- 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; Ba-F-Ge; BaGeF6; crystal structure
- OSTI Identifier:
- 1189876
- DOI:
- https://doi.org/10.17188/1189876
Citation Formats
Materials Data on BaGeF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189876.
Materials Data on BaGeF6 by Materials Project. United States. doi:https://doi.org/10.17188/1189876
2020.
"Materials Data on BaGeF6 by Materials Project". United States. doi:https://doi.org/10.17188/1189876. https://www.osti.gov/servlets/purl/1189876. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1189876,
title = {Materials Data on BaGeF6 by Materials Project},
abstractNote = {BaGeF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ba2+ is bonded to twelve equivalent F1- atoms to form BaF12 cuboctahedra that share corners with six equivalent GeF6 octahedra, edges with six equivalent BaF12 cuboctahedra, and faces with two equivalent GeF6 octahedra. The corner-sharing octahedral tilt angles are 35°. There are six shorter (2.85 Å) and six longer (2.92 Å) Ba–F bond lengths. Ge4+ is bonded to six equivalent F1- atoms to form GeF6 octahedra that share corners with six equivalent BaF12 cuboctahedra and faces with two equivalent BaF12 cuboctahedra. All Ge–F bond lengths are 1.83 Å. F1- is bonded in a distorted single-bond geometry to two equivalent Ba2+ and one Ge4+ atom.},
doi = {10.17188/1189876},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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