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Title: Materials Data on Zn2WN2 by Materials Project

Abstract

WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.

Publication Date:
Other Number(s):
mvc-13731
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; Zn2WN2; N-W-Zn
OSTI Identifier:
1318964
DOI:
https://doi.org/10.17188/1318964

Citation Formats

The Materials Project. Materials Data on Zn2WN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318964.
The Materials Project. Materials Data on Zn2WN2 by Materials Project. United States. doi:https://doi.org/10.17188/1318964
The Materials Project. 2020. "Materials Data on Zn2WN2 by Materials Project". United States. doi:https://doi.org/10.17188/1318964. https://www.osti.gov/servlets/purl/1318964. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1318964,
title = {Materials Data on Zn2WN2 by Materials Project},
author = {The Materials Project},
abstractNote = {WZn2N2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. W2+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are a spread of W–N bond distances ranging from 1.83–2.10 Å. There are two inequivalent Zn2+ sites. In the first Zn2+ site, Zn2+ is bonded in a distorted single-bond geometry to three N3- atoms. There are one shorter (1.98 Å) and two longer (2.66 Å) Zn–N bond lengths. In the second Zn2+ site, Zn2+ is bonded in a distorted L-shaped geometry to two equivalent N3- atoms. There are one shorter (1.98 Å) and one longer (2.23 Å) Zn–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to one W2+ and four Zn2+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to two equivalent W2+ and one Zn2+ atom.},
doi = {10.17188/1318964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}