U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on WN by Materials Project
Abstract
NW1 is Corundum-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six N3- atoms to form edge-sharing WN6 octahedra. There are three shorter (2.09 Å) and three longer (2.27 Å) W–N bond lengths. In the second W3+ site, W3+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are one shorter (2.04 Å) and three longer (2.16 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W3+ atoms. In the second N3- site, N3- is bonded to six W3+ atoms to form distorted edge-sharing NW6 pentagonal pyramids.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216195
- 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; WN; N-W
- OSTI Identifier:
- 1733051
- DOI:
- https://doi.org/10.17188/1733051
Citation Formats
The Materials Project. Materials Data on WN by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1733051.
The Materials Project. Materials Data on WN by Materials Project. United States. doi:https://doi.org/10.17188/1733051
The Materials Project. 2019.
"Materials Data on WN by Materials Project". United States. doi:https://doi.org/10.17188/1733051. https://www.osti.gov/servlets/purl/1733051. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1733051,
title = {Materials Data on WN by Materials Project},
author = {The Materials Project},
abstractNote = {NW1 is Corundum-like structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent W3+ sites. In the first W3+ site, W3+ is bonded to six N3- atoms to form edge-sharing WN6 octahedra. There are three shorter (2.09 Å) and three longer (2.27 Å) W–N bond lengths. In the second W3+ site, W3+ is bonded in a distorted rectangular see-saw-like geometry to four N3- atoms. There are one shorter (2.04 Å) and three longer (2.16 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W3+ atoms. In the second N3- site, N3- is bonded to six W3+ atoms to form distorted edge-sharing NW6 pentagonal pyramids.},
doi = {10.17188/1733051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}