U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on GaFe3N by Materials Project
Abstract
GaFe3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Ga and two equivalent N atoms. All Fe–Ga bond lengths are 2.64 Å. Both Fe–N bond lengths are 1.86 Å. Ga is bonded to twelve equivalent Fe atoms to form GaFe12 cuboctahedra that share corners with twelve equivalent GaFe12 cuboctahedra, faces with six equivalent GaFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent GaFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.
- Publication Date:
- Other Number(s):
- mp-1212637
- 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; Fe-Ga-N; GaFe3N; crystal structure
- OSTI Identifier:
- 1685105
- DOI:
- https://doi.org/10.17188/1685105
Citation Formats
Materials Data on GaFe3N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685105.
Materials Data on GaFe3N by Materials Project. United States. doi:https://doi.org/10.17188/1685105
2020.
"Materials Data on GaFe3N by Materials Project". United States. doi:https://doi.org/10.17188/1685105. https://www.osti.gov/servlets/purl/1685105. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1685105,
title = {Materials Data on GaFe3N by Materials Project},
abstractNote = {GaFe3N is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded in a linear geometry to four equivalent Ga and two equivalent N atoms. All Fe–Ga bond lengths are 2.64 Å. Both Fe–N bond lengths are 1.86 Å. Ga is bonded to twelve equivalent Fe atoms to form GaFe12 cuboctahedra that share corners with twelve equivalent GaFe12 cuboctahedra, faces with six equivalent GaFe12 cuboctahedra, and faces with eight equivalent NFe6 octahedra. N is bonded to six equivalent Fe atoms to form NFe6 octahedra that share corners with six equivalent NFe6 octahedra and faces with eight equivalent GaFe12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1685105},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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