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Title: Materials Data on BaMnN2 by Materials Project

Abstract

BaMnN2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ba–N bond distances ranging from 2.82–2.96 Å. Mn4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing MnN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.88 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent Mn4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Mn4+ atoms.

Publication Date:
Other Number(s):
mp-1029775
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; BaMnN2; Ba-Mn-N
OSTI Identifier:
1707634
DOI:
https://doi.org/10.17188/1707634

Citation Formats

The Materials Project. Materials Data on BaMnN2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1707634.
The Materials Project. Materials Data on BaMnN2 by Materials Project. United States. doi:https://doi.org/10.17188/1707634
The Materials Project. 2020. "Materials Data on BaMnN2 by Materials Project". United States. doi:https://doi.org/10.17188/1707634. https://www.osti.gov/servlets/purl/1707634. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1707634,
title = {Materials Data on BaMnN2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaMnN2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Ba2+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of Ba–N bond distances ranging from 2.82–2.96 Å. Mn4+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing MnN4 tetrahedra. There are a spread of Mn–N bond distances ranging from 1.76–1.88 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 150 degrees geometry to two equivalent Ba2+ and two equivalent Mn4+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to four equivalent Ba2+ and two equivalent Mn4+ atoms.},
doi = {10.17188/1707634},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}