Materials Data on FeN by Materials Project

doi:10.17188/1188593

Title: Materials Data on FeN by Materials Project

Dataset
Other Related Research

Abstract

FeN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Fe–N bond lengths are 2.02 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing NFe6 pentagonal pyramids.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-12120

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; FeN; Fe-N

OSTI Identifier:: 1188593

DOI:: https://doi.org/10.17188/1188593

Citation Formats


                    The Materials Project. Materials Data on FeN by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1188593.

Copy to clipboard


                    The Materials Project. Materials Data on FeN by Materials Project.  United States.  doi:https://doi.org/10.17188/1188593

Copy to clipboard


                    The Materials Project. 2020.  
"Materials Data on FeN by Materials Project".  United States.  doi:https://doi.org/10.17188/1188593.  https://www.osti.gov/servlets/purl/1188593. Pub date:Tue Jul 14 00:00:00 EDT 2020

Copy to clipboard


                    
@article{osti_1188593,

  title        = {Materials Data on FeN by Materials Project},

  author       = {The Materials Project},

  abstractNote = {FeN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge, corner, and face-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 46°. All Fe–N bond lengths are 2.02 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of distorted edge and corner-sharing NFe6 pentagonal pyramids.},

  doi          = {10.17188/1188593},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

Copy to clipboard

Dataset:

View Dataset

DOI: https://doi.org/10.17188/1188593

Save / Share:

Export Metadata

Save to My Library

Similar records in DOE Data Explorer and OSTI.GOV collections:

Materials Data on FeN by Materials Project

Dataset The Materials Project

FeN is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Fe3+ is bonded to four equivalent N3- atoms to form corner-sharing FeN4 tetrahedra. All Fe–N bond lengths are 1.83 Å. N3- is bonded to four equivalent Fe3+ atoms to form corner-sharing NFe4 tetrahedra.
Materials Data on FeN by Materials Project

Dataset The Materials Project

FeN crystallizes in the monoclinic C2 space group. The structure is one-dimensional and consists of two FeN ribbons oriented in the (1, 1, 0) direction. Fe3+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.72 Å. N3- is bonded in a linear geometry to two equivalent Fe3+ atoms.
Materials Data on FeN by Materials Project

Dataset The Materials Project

FeN is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe3+ is bonded in a body-centered cubic geometry to eight equivalent N3- atoms. All Fe–N bond lengths are 2.22 Å. N3- is bonded in a body-centered cubic geometry to eight equivalent Fe3+ atoms.
Materials Data on Ca(FeN)2 by Materials Project

Dataset The Materials Project

Ca(FeN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one Ca(FeN)2 sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded to four equivalent N3- atoms to form distorted corner-sharing CaN4 tetrahedra. All Ca–N bond lengths are 2.46 Å. Fe2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.76 Å. N3- is bonded in a rectangular see-saw-like geometry to two equivalent Ca2+ and two equivalent Fe2+ atoms.
Materials Data on FeN by Materials Project

Dataset The Materials Project

FeN is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded to six equivalent N3- atoms to form a mixture of edge and corner-sharing FeN6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Fe–N bond lengths are 2.04 Å. N3- is bonded to six equivalent Fe3+ atoms to form a mixture of edge and corner-sharing NFe6 octahedra. The corner-sharing octahedral tilt angles are 0°.

Similar Records