Title: Materials Data on W2N3 by Materials Project

Abstract

W2N3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two W2N3 sheets oriented in the (0, 0, 1) direction. W+4.50+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.02 Å) and three longer (2.24 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent W+4.50+ atoms to form distorted edge-sharing NW6 pentagonal pyramids. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W+4.50+ atoms.

Publication Date:
Other Number(s):
mp-1079251
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; N-W; W2N3
OSTI Identifier:
1653032
DOI:
https://doi.org/10.17188/1653032

Citation Formats

Materials Data on W2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1653032.
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Materials Data on W2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1653032
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2020. "Materials Data on W2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1653032. https://www.osti.gov/servlets/purl/1653032. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1653032,
title = {Materials Data on W2N3 by Materials Project},
abstractNote = {W2N3 crystallizes in the hexagonal P6_3/mmc space group. The structure is two-dimensional and consists of two W2N3 sheets oriented in the (0, 0, 1) direction. W+4.50+ is bonded in a 6-coordinate geometry to six N3- atoms. There are three shorter (2.02 Å) and three longer (2.24 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six equivalent W+4.50+ atoms to form distorted edge-sharing NW6 pentagonal pyramids. In the second N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W+4.50+ atoms.},
doi = {10.17188/1653032},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1653032
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