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Title: Materials Data on Mg2Mn3O7 by Materials Project

Abstract

Mg2Mn3O7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mg2Mn3O7 cluster. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Mg–O bond distances ranging from 1.77–2.23 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.58 Å) and one longer (1.77 Å) Mg–O bond length. There are three inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.66 Å) Mn–O bond length. In the second Mn+3.33+ site, Mn+3.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.63 Å) and one longer (1.91 Å) Mn–O bond length. In the third Mn+3.33+ site, Mn+3.33+ is bonded in a distorted linear geometry to three O2- atoms. There are a spread of Mn–O bond distances ranging from 1.62–2.18 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to onemore » Mg2+ and one Mn+3.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mn+3.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Mg2+ and one Mn+3.33+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mn+3.33+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Mg2+ and two Mn+3.33+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mn+3.33+ atom.« less

Publication Date:
Other Number(s):
mp-770496
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; Mg2Mn3O7; Mg-Mn-O
OSTI Identifier:
1299814
DOI:
10.17188/1299814

Citation Formats

The Materials Project. Materials Data on Mg2Mn3O7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1299814.
The Materials Project. Materials Data on Mg2Mn3O7 by Materials Project. United States. doi:10.17188/1299814.
The Materials Project. 2020. "Materials Data on Mg2Mn3O7 by Materials Project". United States. doi:10.17188/1299814. https://www.osti.gov/servlets/purl/1299814. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1299814,
title = {Materials Data on Mg2Mn3O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Mn3O7 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one Mg2Mn3O7 cluster. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Mg–O bond distances ranging from 1.77–2.23 Å. In the second Mg2+ site, Mg2+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.58 Å) and one longer (1.77 Å) Mg–O bond length. There are three inequivalent Mn+3.33+ sites. In the first Mn+3.33+ site, Mn+3.33+ is bonded in a distorted linear geometry to two O2- atoms. There is one shorter (1.52 Å) and one longer (1.66 Å) Mn–O bond length. In the second Mn+3.33+ site, Mn+3.33+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.63 Å) and one longer (1.91 Å) Mn–O bond length. In the third Mn+3.33+ site, Mn+3.33+ is bonded in a distorted linear geometry to three O2- atoms. There are a spread of Mn–O bond distances ranging from 1.62–2.18 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to one Mg2+ and one Mn+3.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Mn+3.33+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Mg2+ atom. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one Mg2+ and one Mn+3.33+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mg2+ and one Mn+3.33+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Mg2+ and two Mn+3.33+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Mn+3.33+ atom.},
doi = {10.17188/1299814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}

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