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Title: Materials Data on Mg2CrN3 by Materials Project

Abstract

Mg2CrN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form distorted MgN4 tetrahedra that share corners with five equivalent CrN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.14 Å. Cr5+ is bonded to four N3- atoms to form CrN4 tetrahedra that share corners with two equivalent CrN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.76–1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Mg2+ and one Cr5+ atom to form distorted corner-sharing NMg3Cr tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Cr5+ atoms to form corner-sharing NMg2Cr2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1029520
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Mg2CrN3; Cr-Mg-N
OSTI Identifier:
1745861
DOI:
https://doi.org/10.17188/1745861

Citation Formats

The Materials Project. Materials Data on Mg2CrN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1745861.
The Materials Project. Materials Data on Mg2CrN3 by Materials Project. United States. doi:https://doi.org/10.17188/1745861
The Materials Project. 2020. "Materials Data on Mg2CrN3 by Materials Project". United States. doi:https://doi.org/10.17188/1745861. https://www.osti.gov/servlets/purl/1745861. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1745861,
title = {Materials Data on Mg2CrN3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2CrN3 crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form distorted MgN4 tetrahedra that share corners with five equivalent CrN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.14 Å. Cr5+ is bonded to four N3- atoms to form CrN4 tetrahedra that share corners with two equivalent CrN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are a spread of Cr–N bond distances ranging from 1.76–1.86 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Mg2+ and one Cr5+ atom to form distorted corner-sharing NMg3Cr tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Cr5+ atoms to form corner-sharing NMg2Cr2 tetrahedra.},
doi = {10.17188/1745861},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}