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Title: Materials Data on MoN by Materials Project

Abstract

MoN crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Mo–N bond lengths. In the second Mo3+ site, Mo3+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Mo–N bond distances ranging from 2.01–2.49 Å. In the third Mo3+ site, Mo3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Mo–N bond distances ranging from 2.13–2.28 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to six Mo3+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to five Mo3+ atoms. In the third N3- site, N3- is bonded to four Mo3+ atoms to form distorted edge-sharing NMo4 tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-1205447
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; MoN; Mo-N
OSTI Identifier:
1683569
DOI:
https://doi.org/10.17188/1683569

Citation Formats

The Materials Project. Materials Data on MoN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683569.
The Materials Project. Materials Data on MoN by Materials Project. United States. doi:https://doi.org/10.17188/1683569
The Materials Project. 2020. "Materials Data on MoN by Materials Project". United States. doi:https://doi.org/10.17188/1683569. https://www.osti.gov/servlets/purl/1683569. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683569,
title = {Materials Data on MoN by Materials Project},
author = {The Materials Project},
abstractNote = {MoN crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded in a 4-coordinate geometry to four N3- atoms. There are two shorter (2.06 Å) and two longer (2.07 Å) Mo–N bond lengths. In the second Mo3+ site, Mo3+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Mo–N bond distances ranging from 2.01–2.49 Å. In the third Mo3+ site, Mo3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Mo–N bond distances ranging from 2.13–2.28 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to six Mo3+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to five Mo3+ atoms. In the third N3- site, N3- is bonded to four Mo3+ atoms to form distorted edge-sharing NMo4 tetrahedra.},
doi = {10.17188/1683569},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}