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Title: 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; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; FeN2; Fe-N
OSTI Identifier:
1685983
DOI:
https://doi.org/10.17188/1685983

Citation Formats

The Materials Project. Materials Data on FeN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685983.
The Materials Project. Materials Data on FeN2 by Materials Project. United States. doi:https://doi.org/10.17188/1685983
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1685983,
title = {Materials Data on FeN2 by Materials Project},
author = {The 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}
}