Materials Data on WN2 by Materials Project
Abstract
WN2 is Brookite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. W6+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 15–65°. There are a spread of W–N bond distances ranging from 1.86–2.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent W6+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-755880
- 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; WN2; N-W
- OSTI Identifier:
- 1290253
- DOI:
- https://doi.org/10.17188/1290253
Citation Formats
The Materials Project. Materials Data on WN2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290253.
The Materials Project. Materials Data on WN2 by Materials Project. United States. doi:https://doi.org/10.17188/1290253
The Materials Project. 2020.
"Materials Data on WN2 by Materials Project". United States. doi:https://doi.org/10.17188/1290253. https://www.osti.gov/servlets/purl/1290253. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290253,
title = {Materials Data on WN2 by Materials Project},
author = {The Materials Project},
abstractNote = {WN2 is Brookite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. W6+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 15–65°. There are a spread of W–N bond distances ranging from 1.86–2.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent W6+ atoms.},
doi = {10.17188/1290253},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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