U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VFeAs by Materials Project
Abstract
VFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.54 Å) and four longer (2.59 Å) V–As bond lengths. Fe is bonded in a 4-coordinate geometry to four As atoms. There are two shorter (2.33 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a distorted q6 geometry to three equivalent V and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent V and three equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1095040
- 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-V; VFeAs; crystal structure
- OSTI Identifier:
- 1722090
- DOI:
- https://doi.org/10.17188/1722090
Citation Formats
Materials Data on VFeAs by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722090.
Materials Data on VFeAs by Materials Project. United States. doi:https://doi.org/10.17188/1722090
2020.
"Materials Data on VFeAs by Materials Project". United States. doi:https://doi.org/10.17188/1722090. https://www.osti.gov/servlets/purl/1722090. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722090,
title = {Materials Data on VFeAs by Materials Project},
abstractNote = {VFeAs crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. V is bonded in a 5-coordinate geometry to five As atoms. There are one shorter (2.54 Å) and four longer (2.59 Å) V–As bond lengths. Fe is bonded in a 4-coordinate geometry to four As atoms. There are two shorter (2.33 Å) and two longer (2.37 Å) Fe–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a distorted q6 geometry to three equivalent V and six equivalent Fe atoms. In the second As site, As is bonded in a 9-coordinate geometry to six equivalent V and three equivalent Fe atoms.},
doi = {10.17188/1722090},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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