U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaCdAsF by Materials Project
Abstract
BaFCdAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent F1- atoms. All Ba–As bond lengths are 3.56 Å. All Ba–F bond lengths are 2.69 Å. Cd2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. All Cd–As bond lengths are 2.82 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1095151
- 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-Ba-Cd-F; BaCdAsF; crystal structure
- OSTI Identifier:
- 1699128
- DOI:
- https://doi.org/10.17188/1699128
Citation Formats
Materials Data on BaCdAsF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1699128.
Materials Data on BaCdAsF by Materials Project. United States. doi:https://doi.org/10.17188/1699128
2020.
"Materials Data on BaCdAsF by Materials Project". United States. doi:https://doi.org/10.17188/1699128. https://www.osti.gov/servlets/purl/1699128. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1699128,
title = {Materials Data on BaCdAsF by Materials Project},
abstractNote = {BaFCdAs is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent As3- and four equivalent F1- atoms. All Ba–As bond lengths are 3.56 Å. All Ba–F bond lengths are 2.69 Å. Cd2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing CdAs4 tetrahedra. All Cd–As bond lengths are 2.82 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.},
doi = {10.17188/1699128},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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