DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Na2MnN2 by Materials Project

Abstract

Na2MnN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are one shorter (2.41 Å) and two longer (2.51 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.53–2.81 Å. Mn4+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.62–1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Mn4+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Mn4+ atom.

Publication Date:
Other Number(s):
mp-1029605
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; Na2MnN2; Mn-N-Na
OSTI Identifier:
1672129
DOI:
https://doi.org/10.17188/1672129

Citation Formats

The Materials Project. Materials Data on Na2MnN2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1672129.
The Materials Project. Materials Data on Na2MnN2 by Materials Project. United States. doi:https://doi.org/10.17188/1672129
The Materials Project. 2019. "Materials Data on Na2MnN2 by Materials Project". United States. doi:https://doi.org/10.17188/1672129. https://www.osti.gov/servlets/purl/1672129. Pub date:Wed Mar 27 00:00:00 EDT 2019
@article{osti_1672129,
title = {Materials Data on Na2MnN2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2MnN2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted T-shaped geometry to three N3- atoms. There are one shorter (2.41 Å) and two longer (2.51 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five N3- atoms. There are a spread of Na–N bond distances ranging from 2.53–2.81 Å. Mn4+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of Mn–N bond distances ranging from 1.62–1.76 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Mn4+ atoms. In the second N3- site, N3- is bonded in a 5-coordinate geometry to four Na1+ and one Mn4+ atom.},
doi = {10.17188/1672129},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {3}
}