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Title: Materials Data on Mg(FeN)2 by Materials Project

Abstract

Mg(FeN)2 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one Mg(FeN)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to four N3- atoms to form corner-sharing MgN4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.19 Å) Mg–N bond lengths. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.76 Å. In the second Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.77 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a see-saw-like geometry to two equivalent Mg2+ and two equivalent Fe2+ atoms. In the second N3- site, N3- is bonded in a see-saw-like geometry to two equivalent Mg2+ and two equivalent Fe2+ atoms.

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1318940
Report Number(s):
mvc-13651
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Mg(FeN)2; Fe-Mg-N

Citation Formats

The Materials Project. Materials Data on Mg(FeN)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318940.
The Materials Project. Materials Data on Mg(FeN)2 by Materials Project. United States. https://doi.org/10.17188/1318940
The Materials Project. Sun . "Materials Data on Mg(FeN)2 by Materials Project". United States. https://doi.org/10.17188/1318940. https://www.osti.gov/servlets/purl/1318940.
@article{osti_1318940,
title = {Materials Data on Mg(FeN)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg(FeN)2 crystallizes in the orthorhombic Pmm2 space group. The structure is two-dimensional and consists of one Mg(FeN)2 sheet oriented in the (0, 0, 1) direction. Mg2+ is bonded to four N3- atoms to form corner-sharing MgN4 tetrahedra. There are two shorter (2.18 Å) and two longer (2.19 Å) Mg–N bond lengths. There are two inequivalent Fe2+ sites. In the first Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.76 Å. In the second Fe2+ site, Fe2+ is bonded in a linear geometry to two equivalent N3- atoms. Both Fe–N bond lengths are 1.77 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a see-saw-like geometry to two equivalent Mg2+ and two equivalent Fe2+ atoms. In the second N3- site, N3- is bonded in a see-saw-like geometry to two equivalent Mg2+ and two equivalent Fe2+ atoms.},
doi = {10.17188/1318940},
url = {https://www.osti.gov/biblio/1318940}, journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}