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Title: Materials Data on YWN3 by Materials Project

Abstract

YWN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded to seven N3- atoms to form distorted YN7 pentagonal bipyramids that share corners with six equivalent WN4 tetrahedra, edges with six equivalent YN7 pentagonal bipyramids, and an edgeedge with one WN4 tetrahedra. There are a spread of Y–N bond distances ranging from 2.40–2.50 Å. W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with six equivalent YN7 pentagonal bipyramids, corners with two equivalent WN4 tetrahedra, and an edgeedge with one YN7 pentagonal bipyramid. There is two shorter (1.84 Å) and two longer (1.95 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Y3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NY3W tetrahedra. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Y3+ and two equivalent W6+ atoms.

Publication Date:
Other Number(s):
mp-989609
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; YWN3; N-W-Y
OSTI Identifier:
1316902
DOI:
https://doi.org/10.17188/1316902

Citation Formats

The Materials Project. Materials Data on YWN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316902.
The Materials Project. Materials Data on YWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316902
The Materials Project. 2020. "Materials Data on YWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316902. https://www.osti.gov/servlets/purl/1316902. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1316902,
title = {Materials Data on YWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {YWN3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Y3+ is bonded to seven N3- atoms to form distorted YN7 pentagonal bipyramids that share corners with six equivalent WN4 tetrahedra, edges with six equivalent YN7 pentagonal bipyramids, and an edgeedge with one WN4 tetrahedra. There are a spread of Y–N bond distances ranging from 2.40–2.50 Å. W6+ is bonded to four N3- atoms to form WN4 tetrahedra that share corners with six equivalent YN7 pentagonal bipyramids, corners with two equivalent WN4 tetrahedra, and an edgeedge with one YN7 pentagonal bipyramid. There is two shorter (1.84 Å) and two longer (1.95 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Y3+ and one W6+ atom to form a mixture of distorted edge and corner-sharing NY3W tetrahedra. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Y3+ and two equivalent W6+ atoms.},
doi = {10.17188/1316902},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}