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Title: Materials Data on Mg2FeN2 by Materials Project

Abstract

Mg2FeN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.16–2.42 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.11–2.23 Å. Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Fe–N bond distances ranging from 1.83–1.88 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Fe2+ atom to form a mixture of edge and corner-sharing NMg5Fe octahedra. The corner-sharing octahedra tilt angles range from 1–34°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing NMg4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 1–34°.

Publication Date:
Other Number(s):
mvc-15544
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; Mg2FeN2; Fe-Mg-N
OSTI Identifier:
1319489
DOI:
10.17188/1319489

Citation Formats

The Materials Project. Materials Data on Mg2FeN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1319489.
The Materials Project. Materials Data on Mg2FeN2 by Materials Project. United States. doi:10.17188/1319489.
The Materials Project. 2020. "Materials Data on Mg2FeN2 by Materials Project". United States. doi:10.17188/1319489. https://www.osti.gov/servlets/purl/1319489. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1319489,
title = {Materials Data on Mg2FeN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2FeN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to five N3- atoms to form a mixture of edge and corner-sharing MgN5 square pyramids. There are a spread of Mg–N bond distances ranging from 2.16–2.42 Å. In the second Mg2+ site, Mg2+ is bonded in a rectangular see-saw-like geometry to four N3- atoms. There are a spread of Mg–N bond distances ranging from 2.11–2.23 Å. Fe2+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Fe–N bond distances ranging from 1.83–1.88 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to five Mg2+ and one Fe2+ atom to form a mixture of edge and corner-sharing NMg5Fe octahedra. The corner-sharing octahedra tilt angles range from 1–34°. In the second N3- site, N3- is bonded to four Mg2+ and two equivalent Fe2+ atoms to form a mixture of distorted edge and corner-sharing NMg4Fe2 octahedra. The corner-sharing octahedra tilt angles range from 1–34°.},
doi = {10.17188/1319489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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