U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-849461
- 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; 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 = {Fri Jun 05 00:00:00 EDT 2020},
month = {Fri Jun 05 00:00:00 EDT 2020}
}