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Title: Materials Data on Mn3O4 by Materials Project

Abstract

Mn3O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded in a see-saw-like geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.90 Å) Mn–O bond length. In the second Mn+2.67+ site, Mn+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mn–O bond distances ranging from 2.09–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four equivalent Mn+2.67+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Mn+2.67+ atoms. In the third O2- site, O2- is bonded to four Mn+2.67+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids.

Authors:
Publication Date:
Other Number(s):
mp-1193728
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; Mn3O4; Mn-O
OSTI Identifier:
1708286
DOI:
https://doi.org/10.17188/1708286

Citation Formats

The Materials Project. Materials Data on Mn3O4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1708286.
The Materials Project. Materials Data on Mn3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1708286
The Materials Project. 2019. "Materials Data on Mn3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1708286. https://www.osti.gov/servlets/purl/1708286. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1708286,
title = {Materials Data on Mn3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3O4 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Mn+2.67+ sites. In the first Mn+2.67+ site, Mn+2.67+ is bonded in a see-saw-like geometry to four O2- atoms. There is two shorter (1.88 Å) and two longer (1.90 Å) Mn–O bond length. In the second Mn+2.67+ site, Mn+2.67+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Mn–O bond distances ranging from 2.09–2.50 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a square co-planar geometry to four equivalent Mn+2.67+ atoms. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to four Mn+2.67+ atoms. In the third O2- site, O2- is bonded to four Mn+2.67+ atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids.},
doi = {10.17188/1708286},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}