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Title: Materials Data on LaWN3 by Materials Project

Abstract

LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.

Publication Date:
Other Number(s):
mp-989630
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:
1316923
DOI:
10.17188/1316923

Citation Formats

The Materials Project. Materials Data on LaWN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316923.
The Materials Project. Materials Data on LaWN3 by Materials Project. United States. doi:10.17188/1316923.
The Materials Project. 2020. "Materials Data on LaWN3 by Materials Project". United States. doi:10.17188/1316923. https://www.osti.gov/servlets/purl/1316923. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1316923,
title = {Materials Data on LaWN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaWN3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. La3+ is bonded in a 12-coordinate geometry to nine N3- atoms. There are a spread of La–N bond distances ranging from 2.53–2.98 Å. W6+ is bonded to six N3- atoms to form corner-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 17–19°. There are two shorter (2.02 Å) and four longer (2.03 Å) W–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to three equivalent La3+ and two equivalent W6+ atoms.},
doi = {10.17188/1316923},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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