U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Fe2As by Materials Project
Abstract
Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.
- Publication Date:
- Other Number(s):
- mp-20426
- 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; Fe2As; crystal structure
- OSTI Identifier:
- 1195551
- DOI:
- https://doi.org/10.17188/1195551
Citation Formats
Materials Data on Fe2As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195551.
Materials Data on Fe2As by Materials Project. United States. doi:https://doi.org/10.17188/1195551
2020.
"Materials Data on Fe2As by Materials Project". United States. doi:https://doi.org/10.17188/1195551. https://www.osti.gov/servlets/purl/1195551. Pub date:Thu Jul 16 04:00:00 UTC 2020
@article{osti_1195551,
title = {Materials Data on Fe2As by Materials Project},
abstractNote = {Fe2As crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 5-coordinate geometry to five equivalent As atoms. There are one shorter (2.42 Å) and four longer (2.61 Å) Fe–As bond lengths. In the second Fe site, Fe is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing FeAs4 tetrahedra. All Fe–As bond lengths are 2.39 Å. As is bonded in a 9-coordinate geometry to nine Fe atoms.},
doi = {10.17188/1195551},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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