DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Zn2MoN3 by Materials Project

Abstract

MoZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mo5+ is bonded to four N3- atoms to form MoN4 tetrahedra that share corners with two equivalent MoN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There are a spread of Mo–N bond distances ranging from 1.89–2.00 Å. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with five equivalent MoN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.09 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one Mo5+ and three equivalent Zn2+ atoms to form corner-sharing NZn3Mo tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mo5+ and two equivalent Zn2+ atoms to form corner-sharing NZn2Mo2 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1029269
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; Zn2MoN3; Mo-N-Zn
OSTI Identifier:
1732277
DOI:
https://doi.org/10.17188/1732277

Citation Formats

The Materials Project. Materials Data on Zn2MoN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732277.
The Materials Project. Materials Data on Zn2MoN3 by Materials Project. United States. doi:https://doi.org/10.17188/1732277
The Materials Project. 2020. "Materials Data on Zn2MoN3 by Materials Project". United States. doi:https://doi.org/10.17188/1732277. https://www.osti.gov/servlets/purl/1732277. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1732277,
title = {Materials Data on Zn2MoN3 by Materials Project},
author = {The Materials Project},
abstractNote = {MoZn2N3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mo5+ is bonded to four N3- atoms to form MoN4 tetrahedra that share corners with two equivalent MoN4 tetrahedra and corners with ten equivalent ZnN4 tetrahedra. There are a spread of Mo–N bond distances ranging from 1.89–2.00 Å. Zn2+ is bonded to four N3- atoms to form ZnN4 tetrahedra that share corners with five equivalent MoN4 tetrahedra and corners with seven equivalent ZnN4 tetrahedra. There are a spread of Zn–N bond distances ranging from 2.04–2.09 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one Mo5+ and three equivalent Zn2+ atoms to form corner-sharing NZn3Mo tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mo5+ and two equivalent Zn2+ atoms to form corner-sharing NZn2Mo2 tetrahedra.},
doi = {10.17188/1732277},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}