U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on BaCdPF by Materials Project
Abstract
BaFCdP 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 P3- and four equivalent F1- atoms. All Ba–P bond lengths are 3.51 Å. All Ba–F bond lengths are 2.68 Å. Cd2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CdP4 tetrahedra. All Cd–P bond lengths are 2.74 Å. P3- 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-1079603
- 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-Cd-F-P; BaCdPF; crystal structure
- OSTI Identifier:
- 1676903
- DOI:
- https://doi.org/10.17188/1676903
Citation Formats
Materials Data on BaCdPF by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1676903.
Materials Data on BaCdPF by Materials Project. United States. doi:https://doi.org/10.17188/1676903
2020.
"Materials Data on BaCdPF by Materials Project". United States. doi:https://doi.org/10.17188/1676903. https://www.osti.gov/servlets/purl/1676903. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676903,
title = {Materials Data on BaCdPF by Materials Project},
abstractNote = {BaFCdP 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 P3- and four equivalent F1- atoms. All Ba–P bond lengths are 3.51 Å. All Ba–F bond lengths are 2.68 Å. Cd2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CdP4 tetrahedra. All Cd–P bond lengths are 2.74 Å. P3- 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 = {10.17188/1676903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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