U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KFeAs2 by Materials Project
Abstract
KFeAs2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent As2- atoms. All K–As bond lengths are 3.54 Å. Fe3+ is bonded to four equivalent As2- atoms to form distorted corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.23 Å. As2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent Fe3+ atoms.
- Publication Date:
- Other Number(s):
- mp-1223459
- 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-Fe-K; KFeAs2; crystal structure
- OSTI Identifier:
- 1713484
- DOI:
- https://doi.org/10.17188/1713484
Citation Formats
Materials Data on KFeAs2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1713484.
Materials Data on KFeAs2 by Materials Project. United States. doi:https://doi.org/10.17188/1713484
2020.
"Materials Data on KFeAs2 by Materials Project". United States. doi:https://doi.org/10.17188/1713484. https://www.osti.gov/servlets/purl/1713484. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1713484,
title = {Materials Data on KFeAs2 by Materials Project},
abstractNote = {KFeAs2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight equivalent As2- atoms. All K–As bond lengths are 3.54 Å. Fe3+ is bonded to four equivalent As2- atoms to form distorted corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.23 Å. As2- is bonded in a distorted bent 120 degrees geometry to four equivalent K1+ and two equivalent Fe3+ atoms.},
doi = {10.17188/1713484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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