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Title: Materials Data on LaCoN3 by Materials Project

Abstract

LaCoN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to five N+1.67- atoms. There are a spread of La–N bond distances ranging from 2.42–2.81 Å. Co2+ is bonded in a distorted trigonal planar geometry to three N+1.67- atoms. There are a spread of Co–N bond distances ranging from 1.68–1.91 Å. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded to three equivalent La3+ and two equivalent Co2+ atoms to form a mixture of edge and corner-sharing NLa3Co2 trigonal bipyramids. In the second N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co2+ and one N+1.67- atom. The N–N bond length is 1.18 Å. In the third N+1.67- site, N+1.67- is bonded in a 3-coordinate geometry to two equivalent La3+ and one N+1.67- atom.

Authors:
Publication Date:
Other Number(s):
mp-989643
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; LaCoN3; Co-La-N
OSTI Identifier:
1316936
DOI:
https://doi.org/10.17188/1316936

Citation Formats

The Materials Project. Materials Data on LaCoN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316936.
The Materials Project. Materials Data on LaCoN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316936
The Materials Project. 2020. "Materials Data on LaCoN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316936. https://www.osti.gov/servlets/purl/1316936. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316936,
title = {Materials Data on LaCoN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaCoN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La3+ is bonded in a 5-coordinate geometry to five N+1.67- atoms. There are a spread of La–N bond distances ranging from 2.42–2.81 Å. Co2+ is bonded in a distorted trigonal planar geometry to three N+1.67- atoms. There are a spread of Co–N bond distances ranging from 1.68–1.91 Å. There are three inequivalent N+1.67- sites. In the first N+1.67- site, N+1.67- is bonded to three equivalent La3+ and two equivalent Co2+ atoms to form a mixture of edge and corner-sharing NLa3Co2 trigonal bipyramids. In the second N+1.67- site, N+1.67- is bonded in a 1-coordinate geometry to one Co2+ and one N+1.67- atom. The N–N bond length is 1.18 Å. In the third N+1.67- site, N+1.67- is bonded in a 3-coordinate geometry to two equivalent La3+ and one N+1.67- atom.},
doi = {10.17188/1316936},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}