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Title: Materials Data on W2N3 by Materials Project

Abstract

W2N3 is Corundum-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent W+4.50+ sites. In the first W+4.50+ site, W+4.50+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 4–45°. There are a spread of W–N bond distances ranging from 2.10–2.13 Å. In the second W+4.50+ site, W+4.50+ is bonded to six N3- atoms to form a mixture of distorted edge, face, and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–N bond distances ranging from 2.07–2.10 Å. In the third W+4.50+ site, W+4.50+ is bonded to six N3- atoms to form a mixture of edge, face, and corner-sharing WN6 octahedra. There are a spread of W–N bond distances ranging from 1.99–2.13 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms. In the second N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms. In the third N3- site, N3- is bonded in a rectangular see-saw-like geometry to fourmore » W+4.50+ atoms. In the fourth N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms.« less

Publication Date:
Other Number(s):
mp-1216242
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; W2N3; N-W
OSTI Identifier:
1667101
DOI:
https://doi.org/10.17188/1667101

Citation Formats

The Materials Project. Materials Data on W2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667101.
The Materials Project. Materials Data on W2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1667101
The Materials Project. 2020. "Materials Data on W2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1667101. https://www.osti.gov/servlets/purl/1667101. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1667101,
title = {Materials Data on W2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {W2N3 is Corundum-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent W+4.50+ sites. In the first W+4.50+ site, W+4.50+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 4–45°. There are a spread of W–N bond distances ranging from 2.10–2.13 Å. In the second W+4.50+ site, W+4.50+ is bonded to six N3- atoms to form a mixture of distorted edge, face, and corner-sharing WN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of W–N bond distances ranging from 2.07–2.10 Å. In the third W+4.50+ site, W+4.50+ is bonded to six N3- atoms to form a mixture of edge, face, and corner-sharing WN6 octahedra. There are a spread of W–N bond distances ranging from 1.99–2.13 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms. In the second N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms. In the third N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms. In the fourth N3- site, N3- is bonded in a rectangular see-saw-like geometry to four W+4.50+ atoms.},
doi = {10.17188/1667101},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}