U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaBrF by Materials Project
Abstract
BaFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.45 Å) and one longer (3.46 Å) Ba–Br bond lengths. All Ba–F bond lengths are 2.71 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.51 Å. F1- is bonded to four equivalent Ba2+ and four equivalent Br1- atoms to form a mixture of edge and face-sharing FBa4Br4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-23070
- 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-Br-F; BaBrF; crystal structure
- OSTI Identifier:
- 1199213
- DOI:
- https://doi.org/10.17188/1199213
Citation Formats
Materials Data on BaBrF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199213.
Materials Data on BaBrF by Materials Project. United States. doi:https://doi.org/10.17188/1199213
2020.
"Materials Data on BaBrF by Materials Project". United States. doi:https://doi.org/10.17188/1199213. https://www.osti.gov/servlets/purl/1199213. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1199213,
title = {Materials Data on BaBrF by Materials Project},
abstractNote = {BaFBr is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to five equivalent Br1- and four equivalent F1- atoms. There are four shorter (3.45 Å) and one longer (3.46 Å) Ba–Br bond lengths. All Ba–F bond lengths are 2.71 Å. Br1- is bonded in a 5-coordinate geometry to five equivalent Ba2+ and four equivalent F1- atoms. All Br–F bond lengths are 3.51 Å. F1- is bonded to four equivalent Ba2+ and four equivalent Br1- atoms to form a mixture of edge and face-sharing FBa4Br4 tetrahedra.},
doi = {10.17188/1199213},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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