U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on FeN2 by Materials Project
Abstract
FeN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N1- atoms to form FeN6 octahedra that share corners with eight equivalent FeN6 octahedra, corners with six equivalent NFe3N tetrahedra, and edges with two equivalent FeN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.94 Å) and four longer (1.98 Å) Fe–N bond length. N1- is bonded to three equivalent Fe2+ and one N1- atom to form distorted NFe3N tetrahedra that share corners with three equivalent FeN6 octahedra, corners with thirteen equivalent NFe3N tetrahedra, and an edgeedge with one NFe3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–67°. The N–N bond length is 1.33 Å.
- Publication Date:
- Other Number(s):
- mp-1080202
- 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-N; FeN2; crystal structure
- OSTI Identifier:
- 1685983
- DOI:
- https://doi.org/10.17188/1685983
Citation Formats
Materials Data on FeN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685983.
Materials Data on FeN2 by Materials Project. United States. doi:https://doi.org/10.17188/1685983
2020.
"Materials Data on FeN2 by Materials Project". United States. doi:https://doi.org/10.17188/1685983. https://www.osti.gov/servlets/purl/1685983. Pub date:Sat May 02 04:00:00 UTC 2020
@article{osti_1685983,
title = {Materials Data on FeN2 by Materials Project},
abstractNote = {FeN2 is Marcasite structured and crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. Fe2+ is bonded to six equivalent N1- atoms to form FeN6 octahedra that share corners with eight equivalent FeN6 octahedra, corners with six equivalent NFe3N tetrahedra, and edges with two equivalent FeN6 octahedra. The corner-sharing octahedral tilt angles are 66°. There is two shorter (1.94 Å) and four longer (1.98 Å) Fe–N bond length. N1- is bonded to three equivalent Fe2+ and one N1- atom to form distorted NFe3N tetrahedra that share corners with three equivalent FeN6 octahedra, corners with thirteen equivalent NFe3N tetrahedra, and an edgeedge with one NFe3N tetrahedra. The corner-sharing octahedra tilt angles range from 63–67°. The N–N bond length is 1.33 Å.},
doi = {10.17188/1685983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}