U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on NbN by Materials Project
Abstract
NbN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing NbN6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are three shorter (2.23 Å) and three longer (2.26 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of edge and corner-sharing NNb6 octahedra. In the second N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted edge and corner-sharing NNb6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-15799
- 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; NbN; N-Nb
- OSTI Identifier:
- 1191387
- DOI:
- https://doi.org/10.17188/1191387
Citation Formats
The Materials Project. Materials Data on NbN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1191387.
The Materials Project. Materials Data on NbN by Materials Project. United States. doi:https://doi.org/10.17188/1191387
The Materials Project. 2020.
"Materials Data on NbN by Materials Project". United States. doi:https://doi.org/10.17188/1191387. https://www.osti.gov/servlets/purl/1191387. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1191387,
title = {Materials Data on NbN by Materials Project},
author = {The Materials Project},
abstractNote = {NbN is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Nb3+ is bonded to six N3- atoms to form a mixture of face, edge, and corner-sharing NbN6 octahedra. The corner-sharing octahedra tilt angles range from 0–45°. There are three shorter (2.23 Å) and three longer (2.26 Å) Nb–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of edge and corner-sharing NNb6 octahedra. In the second N3- site, N3- is bonded to six equivalent Nb3+ atoms to form a mixture of distorted edge and corner-sharing NNb6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 1°.},
doi = {10.17188/1191387},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}