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Title: Materials Data on NaMnO2 by Materials Project

Abstract

NaMnO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 10–13°. There are four shorter (2.39 Å) and two longer (2.44 Å) Na–O bond lengths. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 10–13°. There are four shorter (1.97 Å) and two longer (2.44 Å) Mn–O bond lengths. O2- is bonded to three equivalent Na1+ and three equivalent Mn3+ atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-18957
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; NaMnO2; Mn-Na-O
OSTI Identifier:
1193732
DOI:
https://doi.org/10.17188/1193732

Citation Formats

The Materials Project. Materials Data on NaMnO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193732.
The Materials Project. Materials Data on NaMnO2 by Materials Project. United States. doi:https://doi.org/10.17188/1193732
The Materials Project. 2020. "Materials Data on NaMnO2 by Materials Project". United States. doi:https://doi.org/10.17188/1193732. https://www.osti.gov/servlets/purl/1193732. Pub date:Sat May 09 00:00:00 EDT 2020
@article{osti_1193732,
title = {Materials Data on NaMnO2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMnO2 is Caswellsilverite structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent MnO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 10–13°. There are four shorter (2.39 Å) and two longer (2.44 Å) Na–O bond lengths. Mn3+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with six equivalent NaO6 octahedra, edges with six equivalent NaO6 octahedra, and edges with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 10–13°. There are four shorter (1.97 Å) and two longer (2.44 Å) Mn–O bond lengths. O2- is bonded to three equivalent Na1+ and three equivalent Mn3+ atoms to form a mixture of distorted corner and edge-sharing ONa3Mn3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1193732},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}