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Title: Materials Data on Mn2ZnO5 by Materials Project

Abstract

Mn2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mn4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.79–1.99 Å. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.29–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn4+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn4+ and two equivalent Zn2+ atoms.

Publication Date:
Other Number(s):
mvc-12546
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; Mn2ZnO5; Mn-O-Zn
OSTI Identifier:
1318557
DOI:
https://doi.org/10.17188/1318557

Citation Formats

The Materials Project. Materials Data on Mn2ZnO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318557.
The Materials Project. Materials Data on Mn2ZnO5 by Materials Project. United States. doi:https://doi.org/10.17188/1318557
The Materials Project. 2020. "Materials Data on Mn2ZnO5 by Materials Project". United States. doi:https://doi.org/10.17188/1318557. https://www.osti.gov/servlets/purl/1318557. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1318557,
title = {Materials Data on Mn2ZnO5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn2ZnO5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Mn4+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing MnO5 trigonal bipyramids. There are a spread of Mn–O bond distances ranging from 1.79–1.99 Å. Zn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Zn–O bond distances ranging from 2.29–2.68 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Mn4+ and two equivalent Zn2+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mn4+ and one Zn2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn4+ and two equivalent Zn2+ atoms.},
doi = {10.17188/1318557},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}