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Title: Materials Data on MnZn2N3 by Materials Project

Abstract

MnZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mn3+ is bonded to four N+2.33- atoms to form MnN4 tetrahedra that share corners with two equivalent MnN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.86 Å. Zn2+ is bonded to four N+2.33- atoms to form ZnN4 tetrahedra that share corners with five equivalent MnN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.03–2.09 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form corner-sharing NMn2Zn2 tetrahedra. In the second N+2.33- site, N+2.33- is bonded to one Mn3+ and three equivalent Zn2+ atoms to form corner-sharing NMnZn3 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1029354
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; MnZn2N3; Mn-N-Zn
OSTI Identifier:
1698497
DOI:
https://doi.org/10.17188/1698497

Citation Formats

The Materials Project. Materials Data on MnZn2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1698497.
The Materials Project. Materials Data on MnZn2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1698497
The Materials Project. 2020. "Materials Data on MnZn2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1698497. https://www.osti.gov/servlets/purl/1698497. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1698497,
title = {Materials Data on MnZn2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {MnZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mn3+ is bonded to four N+2.33- atoms to form MnN4 tetrahedra that share corners with two equivalent MnN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.86 Å. Zn2+ is bonded to four N+2.33- atoms to form ZnN4 tetrahedra that share corners with five equivalent MnN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.03–2.09 Å. There are two inequivalent N+2.33- sites. In the first N+2.33- site, N+2.33- is bonded to two equivalent Mn3+ and two equivalent Zn2+ atoms to form corner-sharing NMn2Zn2 tetrahedra. In the second N+2.33- site, N+2.33- is bonded to one Mn3+ and three equivalent Zn2+ atoms to form corner-sharing NMnZn3 tetrahedra.},
doi = {10.17188/1698497},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}