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Title: Materials Data on LaMoN3 by Materials Project

Abstract

LaMoN3 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 (2.47 Å) and four longer (2.87 Å) La–N bond lengths. Mo6+ is bonded to five N3- atoms to form distorted corner-sharing MoN5 trigonal bipyramids. There is one shorter (1.78 Å) and four longer (2.02 Å) Mo–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent Mo6+ atoms to form a mixture of distorted edge and corner-sharing NLa2Mo2 tetrahedra. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one Mo6+ atom.

Authors:
Publication Date:
Other Number(s):
mp-989515
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; LaMoN3; La-Mo-N
OSTI Identifier:
1316814
DOI:
https://doi.org/10.17188/1316814

Citation Formats

The Materials Project. Materials Data on LaMoN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316814.
The Materials Project. Materials Data on LaMoN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316814
The Materials Project. 2020. "Materials Data on LaMoN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316814. https://www.osti.gov/servlets/purl/1316814. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316814,
title = {Materials Data on LaMoN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaMoN3 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 (2.47 Å) and four longer (2.87 Å) La–N bond lengths. Mo6+ is bonded to five N3- atoms to form distorted corner-sharing MoN5 trigonal bipyramids. There is one shorter (1.78 Å) and four longer (2.02 Å) Mo–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent La3+ and two equivalent Mo6+ atoms to form a mixture of distorted edge and corner-sharing NLa2Mo2 tetrahedra. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four equivalent La3+ and one Mo6+ atom.},
doi = {10.17188/1316814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}