U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cr3GaFe3As2 by Materials Project
Abstract
Cr3Fe3GaAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to one Ga and four equivalent As atoms. The Cr–Ga bond length is 2.55 Å. All Cr–As bond lengths are 2.62 Å. Fe is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Fe–Ga bond lengths are 2.40 Å. Both Fe–As bond lengths are 2.32 Å. Ga is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1226345
- 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-Cr-Fe-Ga; Cr3GaFe3As2; crystal structure
- OSTI Identifier:
- 1738313
- DOI:
- https://doi.org/10.17188/1738313
Citation Formats
Materials Data on Cr3GaFe3As2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738313.
Materials Data on Cr3GaFe3As2 by Materials Project. United States. doi:https://doi.org/10.17188/1738313
2020.
"Materials Data on Cr3GaFe3As2 by Materials Project". United States. doi:https://doi.org/10.17188/1738313. https://www.osti.gov/servlets/purl/1738313. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1738313,
title = {Materials Data on Cr3GaFe3As2 by Materials Project},
abstractNote = {Cr3Fe3GaAs2 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Cr is bonded in a 5-coordinate geometry to one Ga and four equivalent As atoms. The Cr–Ga bond length is 2.55 Å. All Cr–As bond lengths are 2.62 Å. Fe is bonded in a 2-coordinate geometry to two equivalent Ga and two equivalent As atoms. Both Fe–Ga bond lengths are 2.40 Å. Both Fe–As bond lengths are 2.32 Å. Ga is bonded in a distorted q6 geometry to three equivalent Cr and six equivalent Fe atoms. As is bonded in a 9-coordinate geometry to six equivalent Cr and three equivalent Fe atoms.},
doi = {10.17188/1738313},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}
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