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Title: Materials Data on WN2 by Materials Project

Abstract

WN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of W–N bond distances ranging from 1.87–2.32 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.45 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two W6+ atoms. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to four W6+ atoms.

Publication Date:
Other Number(s):
mp-1101178
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; WN2; N-W
OSTI Identifier:
1685986
DOI:
https://doi.org/10.17188/1685986

Citation Formats

The Materials Project. Materials Data on WN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685986.
The Materials Project. Materials Data on WN2 by Materials Project. United States. doi:https://doi.org/10.17188/1685986
The Materials Project. 2020. "Materials Data on WN2 by Materials Project". United States. doi:https://doi.org/10.17188/1685986. https://www.osti.gov/servlets/purl/1685986. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685986,
title = {Materials Data on WN2 by Materials Project},
author = {The Materials Project},
abstractNote = {WN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of W–N bond distances ranging from 1.87–2.32 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.45 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two W6+ atoms. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to four W6+ atoms.},
doi = {10.17188/1685986},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}