U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaBiF6 by Materials Project
Abstract
CaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.
- Publication Date:
- Other Number(s):
- mvc-13472
- 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; Bi-Ca-F; CaBiF6; crystal structure
- OSTI Identifier:
- 1318897
- DOI:
- https://doi.org/10.17188/1318897
Citation Formats
Materials Data on CaBiF6 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1318897.
Materials Data on CaBiF6 by Materials Project. United States. doi:https://doi.org/10.17188/1318897
2020.
"Materials Data on CaBiF6 by Materials Project". United States. doi:https://doi.org/10.17188/1318897. https://www.osti.gov/servlets/purl/1318897. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318897,
title = {Materials Data on CaBiF6 by Materials Project},
abstractNote = {CaBiF6 crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ca is bonded to six equivalent F atoms to form CaF6 octahedra that share corners with six equivalent BiF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Ca–F bond lengths are 2.28 Å. Bi is bonded to six equivalent F atoms to form BiF6 octahedra that share corners with six equivalent CaF6 octahedra. The corner-sharing octahedral tilt angles are 41°. All Bi–F bond lengths are 2.17 Å. F is bonded in a bent 150 degrees geometry to one Ca and one Bi atom.},
doi = {10.17188/1318897},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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