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

Title: Materials Data on Na3MnO3 by Materials Project

Abstract

Na3MnO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.62 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent MnO4 tetrahedra and edges with two equivalent NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.31–2.39 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.62 Å. Mn3+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO4 tetrahedra and corners with four equivalent NaO4 trigonal pyramids. There are a spread of Mn–O bond distances ranging from 1.89–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Mn3+ atom to form a mixture of distorted edge and corner-sharing ONa5Mn octahedra. The corner-sharing octahedral tilt angles are 37°. In themore » second O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Mn3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Mn3+ atoms.« less

Publication Date:
Other Number(s):
mp-849461
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; Na3MnO3; Mn-Na-O
OSTI Identifier:
1308271
DOI:
https://doi.org/10.17188/1308271

Citation Formats

The Materials Project. Materials Data on Na3MnO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1308271.
The Materials Project. Materials Data on Na3MnO3 by Materials Project. United States. doi:https://doi.org/10.17188/1308271
The Materials Project. 2020. "Materials Data on Na3MnO3 by Materials Project". United States. doi:https://doi.org/10.17188/1308271. https://www.osti.gov/servlets/purl/1308271. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1308271,
title = {Materials Data on Na3MnO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na3MnO3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.29–2.62 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 trigonal pyramids that share corners with four equivalent MnO4 tetrahedra and edges with two equivalent NaO4 trigonal pyramids. There are a spread of Na–O bond distances ranging from 2.31–2.39 Å. In the third Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.44–2.62 Å. Mn3+ is bonded to four O2- atoms to form MnO4 tetrahedra that share corners with two equivalent MnO4 tetrahedra and corners with four equivalent NaO4 trigonal pyramids. There are a spread of Mn–O bond distances ranging from 1.89–2.03 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to five Na1+ and one Mn3+ atom to form a mixture of distorted edge and corner-sharing ONa5Mn octahedra. The corner-sharing octahedral tilt angles are 37°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to five Na1+ and one Mn3+ atom. In the third O2- site, O2- is bonded in a 6-coordinate geometry to four Na1+ and two equivalent Mn3+ atoms.},
doi = {10.17188/1308271},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}