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Title: Materials Data on Mg3N by Materials Project

Abstract

Mg3N is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Mg and four equivalent N atoms. There are two shorter (2.73 Å) and six longer (2.89 Å) Mg–Mg bond lengths. There are two shorter (2.81 Å) and two longer (2.84 Å) Mg–N bond lengths. N is bonded to twelve equivalent Mg atoms to form a mixture of face and corner-sharing NMg12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1185783
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; Mg3N; Mg-N
OSTI Identifier:
1676958
DOI:
https://doi.org/10.17188/1676958

Citation Formats

The Materials Project. Materials Data on Mg3N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676958.
The Materials Project. Materials Data on Mg3N by Materials Project. United States. doi:https://doi.org/10.17188/1676958
The Materials Project. 2020. "Materials Data on Mg3N by Materials Project". United States. doi:https://doi.org/10.17188/1676958. https://www.osti.gov/servlets/purl/1676958. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1676958,
title = {Materials Data on Mg3N by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3N is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to eight equivalent Mg and four equivalent N atoms. There are two shorter (2.73 Å) and six longer (2.89 Å) Mg–Mg bond lengths. There are two shorter (2.81 Å) and two longer (2.84 Å) Mg–N bond lengths. N is bonded to twelve equivalent Mg atoms to form a mixture of face and corner-sharing NMg12 cuboctahedra.},
doi = {10.17188/1676958},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}