U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on MoN by Materials Project
Abstract
MoN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six N3- atoms to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Mo–N bond distances ranging from 2.17–2.22 Å. In the second Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are three shorter (2.13 Å) and three longer (2.25 Å) Mo–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six Mo3+ atoms to form a mixture of distorted edge and corner-sharing NMo6 pentagonal pyramids. In the second N3- site, N3- is bonded to six equivalent Mo3+ atoms to form a mixture of distorted edge and corner-sharing NMo6 pentagonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-2811
- 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:
- 1202226
- DOI:
- https://doi.org/10.17188/1202226
Citation Formats
The Materials Project. Materials Data on MoN by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1202226.
The Materials Project. Materials Data on MoN by Materials Project. United States. doi:https://doi.org/10.17188/1202226
The Materials Project. 2017.
"Materials Data on MoN by Materials Project". United States. doi:https://doi.org/10.17188/1202226. https://www.osti.gov/servlets/purl/1202226. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1202226,
title = {Materials Data on MoN by Materials Project},
author = {The Materials Project},
abstractNote = {MoN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six N3- atoms to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are a spread of Mo–N bond distances ranging from 2.17–2.22 Å. In the second Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of edge, face, and corner-sharing MoN6 octahedra. The corner-sharing octahedra tilt angles range from 42–47°. There are three shorter (2.13 Å) and three longer (2.25 Å) Mo–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six Mo3+ atoms to form a mixture of distorted edge and corner-sharing NMo6 pentagonal pyramids. In the second N3- site, N3- is bonded to six equivalent Mo3+ atoms to form a mixture of distorted edge and corner-sharing NMo6 pentagonal pyramids.},
doi = {10.17188/1202226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Tue Jul 18 00:00:00 EDT 2017},
month = {Tue Jul 18 00:00:00 EDT 2017}
}