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Title: Materials Data on BaMn2O8 by Materials Project

Abstract

Ba(MnO4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (2.85 Å) Ba–O bond lengths. Mn7+ is bonded in a tetrahedral geometry to four O2- atoms. All Mn–O bond lengths are 1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ba2+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one Mn7+ atom.

Publication Date:
Other Number(s):
mp-1191043
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; BaMn2O8; Ba-Mn-O
OSTI Identifier:
1722418
DOI:
https://doi.org/10.17188/1722418

Citation Formats

The Materials Project. Materials Data on BaMn2O8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1722418.
The Materials Project. Materials Data on BaMn2O8 by Materials Project. United States. doi:https://doi.org/10.17188/1722418
The Materials Project. 2019. "Materials Data on BaMn2O8 by Materials Project". United States. doi:https://doi.org/10.17188/1722418. https://www.osti.gov/servlets/purl/1722418. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1722418,
title = {Materials Data on BaMn2O8 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba(MnO4)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.79 Å) and four longer (2.85 Å) Ba–O bond lengths. Mn7+ is bonded in a tetrahedral geometry to four O2- atoms. All Mn–O bond lengths are 1.62 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ba2+ and one Mn7+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ba2+ and one Mn7+ atom.},
doi = {10.17188/1722418},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}