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Title: Materials Data on LaWN3 by Materials Project

Abstract

LaWN3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.51 Å) and four longer (2.85 Å) La–N bond lengths. W6+ is bonded in a 5-coordinate geometry to five N3- atoms. There is one shorter (1.81 Å) and four longer (2.01 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NLa2W2 trigonal pyramids. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one W6+ atom.

Publication Date:
Other Number(s):
mp-989497
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:
1316807
DOI:
https://doi.org/10.17188/1316807

Citation Formats

The Materials Project. Materials Data on LaWN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316807.
The Materials Project. Materials Data on LaWN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316807
The Materials Project. 2020. "Materials Data on LaWN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316807. https://www.osti.gov/servlets/purl/1316807. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316807,
title = {Materials Data on LaWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaWN3 crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. La3+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are four shorter (2.51 Å) and four longer (2.85 Å) La–N bond lengths. W6+ is bonded in a 5-coordinate geometry to five N3- atoms. There is one shorter (1.81 Å) and four longer (2.01 Å) W–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent W6+ atoms to form a mixture of distorted edge and corner-sharing NLa2W2 trigonal pyramids. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one W6+ atom.},
doi = {10.17188/1316807},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}