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Title: Materials Data on LaWN3 by Materials Project

Abstract

LaWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.45–2.63 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.81–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent La3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. In the second N3- site, N3- is bonded to one La3+ and three equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NLaW3 tetrahedra. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom.

Publication Date:
Other Number(s):
mp-989646
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; LaWN3; La-N-W
OSTI Identifier:
1316939
DOI:
https://doi.org/10.17188/1316939

Citation Formats

The Materials Project. Materials Data on LaWN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316939.
The Materials Project. Materials Data on LaWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316939
The Materials Project. 2020. "Materials Data on LaWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316939. https://www.osti.gov/servlets/purl/1316939. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1316939,
title = {Materials Data on LaWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaWN3 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. La3+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of La–N bond distances ranging from 2.45–2.63 Å. W6+ is bonded to five N3- atoms to form a mixture of distorted corner and edge-sharing WN5 trigonal bipyramids. There are a spread of W–N bond distances ranging from 1.81–2.12 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent La3+ and one W6+ atom to form a mixture of distorted corner and edge-sharing NLa3W tetrahedra. In the second N3- site, N3- is bonded to one La3+ and three equivalent W6+ atoms to form a mixture of distorted corner and edge-sharing NLaW3 tetrahedra. In the third N3- site, N3- is bonded in a distorted trigonal planar geometry to two equivalent La3+ and one W6+ atom.},
doi = {10.17188/1316939},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}