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Title: Materials Data on LaMnN3 by Materials Project

Abstract

LaMnN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La2+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.57–2.71 Å. Mn7+ is bonded to four N3- atoms to form edge-sharing MnN4 tetrahedra. There is three shorter (1.84 Å) and one longer (1.88 Å) Mn–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La2+ and one Mn7+ atom. In the second N3- site, N3- is bonded to three equivalent La2+ and two equivalent Mn7+ atoms to form a mixture of distorted edge and corner-sharing NLa3Mn2 trigonal bipyramids.

Publication Date:
Other Number(s):
mp-989589
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; LaMnN3; La-Mn-N
OSTI Identifier:
1316887
DOI:
https://doi.org/10.17188/1316887

Citation Formats

The Materials Project. Materials Data on LaMnN3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316887.
The Materials Project. Materials Data on LaMnN3 by Materials Project. United States. doi:https://doi.org/10.17188/1316887
The Materials Project. 2020. "Materials Data on LaMnN3 by Materials Project". United States. doi:https://doi.org/10.17188/1316887. https://www.osti.gov/servlets/purl/1316887. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1316887,
title = {Materials Data on LaMnN3 by Materials Project},
author = {The Materials Project},
abstractNote = {LaMnN3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. La2+ is bonded in a 7-coordinate geometry to seven N3- atoms. There are a spread of La–N bond distances ranging from 2.57–2.71 Å. Mn7+ is bonded to four N3- atoms to form edge-sharing MnN4 tetrahedra. There is three shorter (1.84 Å) and one longer (1.88 Å) Mn–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 1-coordinate geometry to two equivalent La2+ and one Mn7+ atom. In the second N3- site, N3- is bonded to three equivalent La2+ and two equivalent Mn7+ atoms to form a mixture of distorted edge and corner-sharing NLa3Mn2 trigonal bipyramids.},
doi = {10.17188/1316887},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}