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Title: Materials Data on Mg2NF by Materials Project

Abstract

Mg2NF crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent N3- and two equivalent F1- atoms to form a mixture of distorted corner and edge-sharing MgN3F2 square pyramids. There are two shorter (2.15 Å) and one longer (2.16 Å) Mg–N bond lengths. Both Mg–F bond lengths are 2.15 Å. N3- is bonded to six equivalent Mg2+ atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 21°. F1- is bonded in a square co-planar geometry to four equivalent Mg2+ atoms.

Publication Date:
Other Number(s):
mp-7589
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; Mg2NF; F-Mg-N
OSTI Identifier:
1291300
DOI:
10.17188/1291300

Citation Formats

The Materials Project. Materials Data on Mg2NF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291300.
The Materials Project. Materials Data on Mg2NF by Materials Project. United States. doi:10.17188/1291300.
The Materials Project. 2020. "Materials Data on Mg2NF by Materials Project". United States. doi:10.17188/1291300. https://www.osti.gov/servlets/purl/1291300. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1291300,
title = {Materials Data on Mg2NF by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2NF crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to three equivalent N3- and two equivalent F1- atoms to form a mixture of distorted corner and edge-sharing MgN3F2 square pyramids. There are two shorter (2.15 Å) and one longer (2.16 Å) Mg–N bond lengths. Both Mg–F bond lengths are 2.15 Å. N3- is bonded to six equivalent Mg2+ atoms to form a mixture of corner and edge-sharing NMg6 octahedra. The corner-sharing octahedral tilt angles are 21°. F1- is bonded in a square co-planar geometry to four equivalent Mg2+ atoms.},
doi = {10.17188/1291300},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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