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Title: Materials Data on WN2 by Materials Project

Abstract

WN2 is Brookite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight 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 octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.36 Å. In the second W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the third W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the fourth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the fifth W6+ site, W6+more » is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the sixth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the seventh W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.35 Å. In the eighth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.36 Å. There are sixteen 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 3-coordinate geometry to three W6+ atoms. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fifth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the seventh N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the eighth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the ninth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the tenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the eleventh N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the twelfth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the thirteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fifteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms.« less

Publication Date:
Other Number(s):
mp-776321
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:
1304226
DOI:
10.17188/1304226

Citation Formats

The Materials Project. Materials Data on WN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1304226.
The Materials Project. Materials Data on WN2 by Materials Project. United States. doi:10.17188/1304226.
The Materials Project. 2020. "Materials Data on WN2 by Materials Project". United States. doi:10.17188/1304226. https://www.osti.gov/servlets/purl/1304226. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1304226,
title = {Materials Data on WN2 by Materials Project},
author = {The Materials Project},
abstractNote = {WN2 is Brookite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are eight 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 octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.36 Å. In the second W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the third W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the fourth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the fifth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the sixth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.37 Å. In the seventh W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.35 Å. In the eighth W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 29–63°. There are a spread of W–N bond distances ranging from 1.84–2.36 Å. There are sixteen 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 3-coordinate geometry to three W6+ atoms. In the fourth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fifth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the seventh N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the eighth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the ninth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the tenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the eleventh N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the twelfth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the thirteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fourteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the fifteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the sixteenth N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms.},
doi = {10.17188/1304226},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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